3-methyl-N-[(8-oxidanylquinolin-1-ium-7-yl)-thiophen-2-yl-methyl]butanamide

Systemtic Name: 3-methyl-N-[(8-oxidanylquinolin-1-ium-7-yl)-thiophen-2-yl-methyl]butanamide Openeye Name: N-[(8-hydroxyquinolin-1-ium-7-yl)-(2-thienyl)methyl]-3-methyl-butanamide CAS Name: N-[(8-hydroxy-7-quinolin-1-iumyl)-thiophen-2-ylmethyl]-3-methylbutanamide IUPAC Name: N-[(8-hydroxyquinolin-1-ium-7-yl)-thiophen-2-ylmethyl]-3-methylbutanamide Traditional Name: N-[(8-hydroxyquinolin-1-ium-7-yl)-(2-thienyl)methyl]-3-methyl-butyramide Formula: C19H21N2O2S+ MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C1=C(C2=C(C=CC=[NH+]2)C=C1)O)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NC(C1=C(C2=C(C=CC=[NH+]2)C=C1)O)C3=CC=CS3

InChI

InChI=1S/C19H20N2O2S/c1-12(2)11-16(22)21-18(15-6-4-10-24-15)14-8-7-13-5-3-9-20-17(13)19(14)23/h3-10,12,18,23H,11H2,1-2H3,(H,21,22)/p+1