2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-(5-benzoyl-2-thienyl)propanoate CAS Name: 2-(5-benzoyl-2-thiophenyl)propanoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-(5-benzoylthiophen-2-yl)propanoate Traditional Name: 2-(5-benzoyl-2-thienyl)propionic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester Formula: C23H23N2O4S+ MolecularWeight: 423.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)OCCNC(=O)C3=C[N+](=CC=C3)C

Isomeric SMILES

CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)OCCNC(=O)C3=C[N+](=CC=C3)C

InChI

InChI=1S/C23H22N2O4S/c1-16(19-10-11-20(30-19)21(26)17-7-4-3-5-8-17)23(28)29-14-12-24-22(27)18-9-6-13-25(2)15-18/h3-11,13,15-16H,12,14H2,1-2H3/p+1