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

Systemtic Name: 3-methyl-N-[(8-oxidanylquinolin-1-ium-7-yl)-phenyl-methyl]butanamide Openeye Name: N-[(8-hydroxyquinolin-1-ium-7-yl)-phenyl-methyl]-3-methyl-butanamide CAS Name: N-[(8-hydroxy-7-quinolin-1-iumyl)-phenylmethyl]-3-methylbutanamide IUPAC Name: N-[(8-hydroxyquinolin-1-ium-7-yl)-phenylmethyl]-3-methylbutanamide Traditional Name: N-[(8-hydroxyquinolin-1-ium-7-yl)-phenyl-methyl]-3-methyl-butyramide Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C1=CC=CC=C1)C2=C(C3=C(C=CC=[NH+]3)C=C2)O

Isomeric SMILES

CC(C)CC(=O)NC(C1=CC=CC=C1)C2=C(C3=C(C=CC=[NH+]3)C=C2)O

InChI

InChI=1S/C21H22N2O2/c1-14(2)13-18(24)23-19(15-7-4-3-5-8-15)17-11-10-16-9-6-12-22-20(16)21(17)25/h3-12,14,19,25H,13H2,1-2H3,(H,23,24)/p+1