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Summary Geometry Related PDB entries

LNF

Summary

Name:	diethyl-[3-[[4-(4,5,9-trimethyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium
Synonyms:	4,N5,9-Trimethyl-11-(4-((3-diethylaminopropyl)carbamoyl)phenyl-10H-indolo[3,2-b]quinolinium
Formula:	C32 H38 N4 O
Formal charge:	2
Formula weight:	494.67 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	diethyl-[3-[[4-(4,5,9-trimethyl-10~{H}-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C32H36N4O/c1-6-36(7-2)20-10-19-33-32(37)24-17-15-23(16-18-24)27-25-13-9-12-22(4)30(25)35(5)31-26-14-8-11-21(3)28(26)34-29(27)31/h8-9,11-18H,6-7,10,19-20H2,1-5H3,(H,33,37)/p+2
InChIKey	InChI	1.06	WLKGFBFIAFQINR-UHFFFAOYSA-P
SMILES_CANONICAL	CACTVS	3.385	CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c3[n+](C)c5c(C)cccc25
SMILES	CACTVS	3.385	CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c3[n+](C)c5c(C)cccc25
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3cccc(c3[n+](c4c2[nH]c5c4cccc5C)C)C
SMILES	OpenEye OEToolkits	2.0.7	CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3cccc(c3[n+](c4c2[nH]c5c4cccc5C)C)C

223532

PDB entries from 2024-08-07

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