[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl] ethanoate

Systemtic Name: [3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl] ethanoate Openeye Name: [3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl] acetate CAS Name: acetic acid [3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl] ester IUPAC Name: [3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl] acetate Traditional Name: acetic acid [3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl] ester Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3/c1-20(29)31-24-14-8-13-23(19-24)26(30)28-17-15-27(16-18-28)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25H,15-18H2,1H3/p+1