[1-[2-(4,4-diphenylpiperazin-4-ium-1-yl)ethyl]piperidin-4-yl]-diphenyl-methanolate

Systemtic Name: [1-[2-(4,4-diphenylpiperazin-4-ium-1-yl)ethyl]piperidin-4-yl]-diphenyl-methanolate Openeye Name: [1-[2-(4,4-diphenylpiperazin-4-ium-1-yl)ethyl]-4-piperidyl]-diphenyl-methanolate CAS Name: [1-[2-(4,4-diphenyl-1-piperazin-4-iumyl)ethyl]-4-piperidinyl]-diphenylmethanolate IUPAC Name: [1-[2-(4,4-diphenylpiperazin-4-ium-1-yl)ethyl]piperidin-4-yl]-diphenylmethanolate Traditional Name: [1-[2-(4,4-diphenylpiperazin-4-ium-1-yl)ethyl]-4-piperidyl]-diphenyl-methanolate Formula: C36H41N3O MolecularWeight: 531.73024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCN4CC[N+](CC4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCN4CC[N+](CC4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H41N3O/c40-36(31-13-5-1-6-14-31,32-15-7-2-8-16-32)33-21-23-37(24-22-33)25-26-38-27-29-39(30-28-38,34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-20,33H,21-30H2