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

Systemtic Name: methyl 2-benzamido-3-(1-methylquinolin-1-ium-3-yl)propanoate iodide Openeye Name: methyl 2-benzamido-3-(1-methylquinolin-1-ium-3-yl)propanoate iodide CAS Name: 2-benzamido-3-(1-methyl-3-quinolin-1-iumyl)propanoic acid methyl ester iodide IUPAC Name: methyl 2-benzamido-3-(1-methylquinolin-1-ium-3-yl)propanoate iodide Traditional Name: 2-benzamido-3-(1-methylquinolin-1-ium-3-yl)propionic acid methyl ester iodide Formula: C21H21IN2O3 MolecularWeight: 476.30751

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3.HI/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;1H