methyl 2-benzamido-3-(1-methylquinolin-1-ium-3-yl)propanoate

Systemtic Name: methyl 2-benzamido-3-(1-methylquinolin-1-ium-3-yl)propanoate Openeye Name: methyl 2-benzamido-3-(1-methylquinolin-1-ium-3-yl)propanoate CAS Name: 2-benzamido-3-(1-methyl-3-quinolin-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl 2-benzamido-3-(1-methylquinolin-1-ium-3-yl)propanoate Traditional Name: 2-benzamido-3-(1-methylquinolin-1-ium-3-yl)propionic acid methyl ester Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC2=CC=CC=C21)CC(C(=O)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC(=CC2=CC=CC=C21)CC(C(=O)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-23-14-15(12-17-10-6-7-11-19(17)23)13-18(21(25)26-2)22-20(24)16-8-4-3-5-9-16/h3-12,14,18H,13H2,1-2H3/p+1