ethyl 1-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1,4-dioxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxobutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-keto-butanoyl]isonipecotic acid ethyl ester Formula: C29H38N3O4+ MolecularWeight: 492.62972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H37N3O4/c1-2-36-29(35)25-15-17-30(18-16-25)26(33)13-14-27(34)31-19-21-32(22-20-31)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,25,28H,2,13-22H2,1H3/p+1