N-(1-azanyl-1-oxidanylidene-propan-2-yl)-N-methyl-1-(phenylmethyl)quinolin-1-ium-3-carboxamide bromide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-propan-2-yl)-N-methyl-1-(phenylmethyl)quinolin-1-ium-3-carboxamide bromide Openeye Name: N-(2-amino-1-methyl-2-oxo-ethyl)-1-benzyl-N-methyl-quinolin-1-ium-3-carboxamide bromide CAS Name: N-(1-amino-1-oxopropan-2-yl)-N-methyl-1-(phenylmethyl)-3-quinolin-1-iumcarboxamide bromide IUPAC Name: N-(1-amino-1-oxopropan-2-yl)-1-benzyl-N-methylquinolin-1-ium-3-carboxamide bromide Traditional Name: N-(2-amino-2-keto-1-methyl-ethyl)-1-benzyl-N-methyl-quinolin-1-ium-3-carboxamide bromide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N(C)C(=O)C1=CC2=CC=CC=C2[N+](=C1)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C(=O)N)N(C)C(=O)C1=CC2=CC=CC=C2[N+](=C1)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H21N3O2.BrH/c1-15(20(22)25)23(2)21(26)18-12-17-10-6-7-11-19(17)24(14-18)13-16-8-4-3-5-9-16;/h3-12,14-15H,13H2,1-2H3,(H-,22,25);1H