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Summary

Name:	{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Synonyms:	Oxamniquine
Formula:	C14 H21 N3 O3
Formal charge:	0
Formula weight:	279.335 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
OpenEye OEToolkits	1.7.6	[(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC(C)C)CO
InChI	InChI	1.03	InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m0/s1
InChIKey	InChI	1.03	XCGYUJZMCCFSRP-LBPRGKRZSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)NC[C@@H]1CCc2cc(CO)c(cc2N1)[N+]([O-])=O
SMILES	CACTVS	3.385	CC(C)NC[CH]1CCc2cc(CO)c(cc2N1)[N+]([O-])=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO
SMILES	OpenEye OEToolkits	1.7.6	CC(C)NCC1CCc2cc(c(cc2N1)[N+](=O)[O-])CO

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