2-[2-[1-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl]-3-oxidanylidene-butanoate

Systemtic Name: 2-[2-[1-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl]-3-oxidanylidene-butanoate Openeye Name: 2-[2-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl]-3-oxo-butanoate CAS Name: 2-[2-[1-(diphenylmethyl)-1-piperazin-1-iumyl]ethyl]-3-oxobutanoate IUPAC Name: 2-[2-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl]-3-oxobutanoate Traditional Name: 2-[2-(1-benzhydrylpiperazin-1-ium-1-yl)ethyl]-3-keto-butyrate Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC[N+]1(CCNCC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)C(CC[N+]1(CCNCC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H28N2O3/c1-18(26)21(23(27)28)12-15-25(16-13-24-14-17-25)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22,24H,12-17H2,1H3