4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-butanoate CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxobutanoate Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-keto-butyrate Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H24N2O3/c24-19(11-12-20(25)26)22-13-15-23(16-14-22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,21H,11-16H2,(H,25,26)