methyl (2S)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C17H19N2O3+ MolecularWeight: 299.34436

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H18N2O3/c1-19-10-6-9-14(12-19)16(20)18-15(17(21)22-2)11-13-7-4-3-5-8-13/h3-10,12,15H,11H2,1-2H3/p+1/t15-/m0/s1