azanium phenyl 1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate

Systemtic Name: azanium phenyl 1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate Openeye Name: ammonium phenyl 1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate CAS Name: ammonium 1-(3,3,3-triphenylpropyl)-4-piperidinecarboxylic acid phenyl ester IUPAC Name: azanium phenyl 1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate Traditional Name: ammonium 1-(3,3,3-triphenylpropyl)isonipecotic acid phenyl ester Formula: C33H37N2O2+ MolecularWeight: 493.65908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=CC=C2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[NH4+]

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=CC=C2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[NH4+]

InChI

InChI=1S/C33H33NO2.H3N/c35-32(36-31-19-11-4-12-20-31)27-21-24-34(25-22-27)26-23-33(28-13-5-1-6-14-28,29-15-7-2-8-16-29)30-17-9-3-10-18-30;/h1-20,27H,21-26H2;1H3/p+1