phenethyl-[1-(phenylcarbonyl)piperidin-4-yl]-(phenylmethyl)azanium

Systemtic Name: phenethyl-[1-(phenylcarbonyl)piperidin-4-yl]-(phenylmethyl)azanium Openeye Name: (1-benzoyl-4-piperidyl)-benzyl-phenethyl-ammonium CAS Name: (1-benzoyl-4-piperidinyl)-phenethyl-(phenylmethyl)ammonium IUPAC Name: (1-benzoylpiperidin-4-yl)-benzyl-phenethylazanium Traditional Name: (1-benzoyl-4-piperidyl)-benzyl-phenethyl-ammonium Formula: C27H31N2O+ MolecularWeight: 399.54784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O/c30-27(25-14-8-3-9-15-25)28-20-17-26(18-21-28)29(22-24-12-6-2-7-13-24)19-16-23-10-4-1-5-11-23/h1-15,26H,16-22H2/p+1