methyl 2-[[3-[(1-oxidanidylpiperidin-1-ium-1-yl)methyl]-2-phenyl-quinolin-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[[3-[(1-oxidanidylpiperidin-1-ium-1-yl)methyl]-2-phenyl-quinolin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[3-[(1-oxido-1-piperidin-1-iumyl)methyl]-2-phenyl-4-quinolinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenylquinoline-4-carbonyl]amino]-2-phenylacetate Traditional Name: 2-[[3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCCCC5)[O-]

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C[N+]5(CCCCC5)[O-]

InChI

InChI=1S/C31H31N3O4/c1-38-31(36)29(23-15-7-3-8-16-23)33-30(35)27-24-17-9-10-18-26(24)32-28(22-13-5-2-6-14-22)25(27)21-34(37)19-11-4-12-20-34/h2-3,5-10,13-18,29H,4,11-12,19-21H2,1H3,(H,33,35)