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

Systemtic Name: methyl 2-[[3-[(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)methyl]-2-phenyl-quinolin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[3-[(4-methyl-1-oxido-1-piperazin-1-iumyl)methyl]-2-phenyl-4-quinolinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-methyl-1-oxidopiperazin-1-ium-1-yl)methyl]-2-phenylquinoline-4-carbonyl]amino]-2-phenylacetate Traditional Name: 2-[[3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C31H32N4O4 MolecularWeight: 524.61018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(C5=CC=CC=C5)C(=O)OC)[O-]

Isomeric SMILES

CN1CC[N+](CC1)(CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(C5=CC=CC=C5)C(=O)OC)[O-]

InChI

InChI=1S/C31H32N4O4/c1-34-17-19-35(38,20-18-34)21-25-27(30(36)33-29(31(37)39-2)23-13-7-4-8-14-23)24-15-9-10-16-26(24)32-28(25)22-11-5-3-6-12-22/h3-16,29H,17-21H2,1-2H3,(H,33,36)