2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-phenethyl-ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-phenethyl-acetamide CAS Name: 2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-phenethylacetamide Traditional Name: 2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]-N-phenethyl-acetamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c31-26(28-16-15-21-7-3-1-4-8-21)19-25-27(32)29-17-18-30(25)20-22-11-13-24(14-12-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2,(H,28,31)(H,29,32)/p+1/t25-/m1/s1