N-[(1R)-1,2-diphenylethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1,2-diphenylethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1,2-diphenylethyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(1R)-1,2-diphenylethyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1,2-diphenylethyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1,2-diphenylethyl]acetamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N[C@H](CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

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