5-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)anilino]-5-oxo-pentanoate CAS Name: 5-[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]anilino]-5-oxopentanoate IUPAC Name: 5-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)anilino]-5-oxopentanoate Traditional Name: 5-[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)anilino]-5-keto-valerate Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C29H31N3O4/c33-26(16-9-17-27(34)35)30-25-15-8-7-14-24(25)29(36)32-20-18-31(19-21-32)28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,28H,9,16-21H2,(H,30,33)(H,34,35)