(2-methoxycarbonyl-3-oxidanyl-phenyl)-(3-oxidanylidene-3-phenyl-propyl)-(phenylcarbonyl)-(4-phenylpiperazin-1-yl)azanium

Systemtic Name: (2-methoxycarbonyl-3-oxidanyl-phenyl)-(3-oxidanylidene-3-phenyl-propyl)-(phenylcarbonyl)-(4-phenylpiperazin-1-yl)azanium Openeye Name: benzoyl-(3-hydroxy-2-methoxycarbonyl-phenyl)-(3-oxo-3-phenyl-propyl)-(4-phenylpiperazin-1-yl)ammonium CAS Name: benzoyl-(3-hydroxy-2-methoxycarbonylphenyl)-(3-oxo-3-phenylpropyl)-(4-phenyl-1-piperazinyl)ammonium IUPAC Name: benzoyl-(3-hydroxy-2-methoxycarbonylphenyl)-(3-oxo-3-phenylpropyl)-(4-phenylpiperazin-1-yl)azanium Traditional Name: benzoyl-(2-carbomethoxy-3-hydroxy-phenyl)-(3-keto-3-phenyl-propyl)-(4-phenylpiperazino)ammonium Formula: C34H34N3O5+ MolecularWeight: 564.65086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1O)[N+](CCC(=O)C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C=CC=C1O)[N+](CCC(=O)C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C34H33N3O5/c1-42-34(41)32-29(18-11-19-31(32)39)37(33(40)27-14-7-3-8-15-27,25-20-30(38)26-12-5-2-6-13-26)36-23-21-35(22-24-36)28-16-9-4-10-17-28/h2-19H,20-25H2,1H3/p+1