ethyl 3-[(6-methylpyridin-1-ium-2-yl)amino]-3-oxidanylidene-2-(phenylmethyl)propanoate

Systemtic Name: ethyl 3-[(6-methylpyridin-1-ium-2-yl)amino]-3-oxidanylidene-2-(phenylmethyl)propanoate Openeye Name: ethyl 2-benzyl-3-[(6-methylpyridin-1-ium-2-yl)amino]-3-oxo-propanoate CAS Name: 3-[(6-methyl-2-pyridin-1-iumyl)amino]-3-oxo-2-(phenylmethyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-[(6-methylpyridin-1-ium-2-yl)amino]-3-oxopropanoate Traditional Name: 2-benzyl-3-keto-3-[(6-methylpyridin-1-ium-2-yl)amino]propionic acid ethyl ester Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=[NH+]2)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=[NH+]2)C

InChI

InChI=1S/C18H20N2O3/c1-3-23-18(22)15(12-14-9-5-4-6-10-14)17(21)20-16-11-7-8-13(2)19-16/h4-11,15H,3,12H2,1-2H3,(H,19,20,21)/p+1