(2R)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propionamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C27H29N3O2/c1-20(27(32)28-26-11-7-6-10-25(26)23-8-4-3-5-9-23)29-16-18-30(19-17-29)24-14-12-22(13-15-24)21(2)31/h3-15,20H,16-19H2,1-2H3,(H,28,32)/p+1/t20-/m1/s1