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Summary

Name:	2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazole
Formula:	C26 H23 N2 O S
Formal charge:	1
Formula weight:	411.539 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium
OpenEye OEToolkits	2.0.7	2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc(cc1)c1ccc2c(c1)C(\C=CN2C)=C\c1sc2ccccc2[n+]1C
InChI	InChI	1.06	InChI=1S/C26H23N2OS/c1-27-15-14-20(17-26-28(2)24-6-4-5-7-25(24)30-26)22-16-19(10-13-23(22)27)18-8-11-21(29-3)12-9-18/h4-17H,1-3H3/q+1
InChIKey	InChI	1.06	STDKZFOWAXBTNR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1)c2ccc3N(C)C=CC(=C\c4sc5ccccc5[n+]4C)/c3c2
SMILES	CACTVS	3.385	COc1ccc(cc1)c2ccc3N(C)C=CC(=Cc4sc5ccccc5[n+]4C)c3c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cc(cc4)c5ccc(cc5)OC)C
SMILES	OpenEye OEToolkits	2.0.7	C[n+]1c2ccccc2sc1C=C3C=CN(c4c3cc(cc4)c5ccc(cc5)OC)C

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