(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H28N4O/c1-21-7-13-25(14-8-21)29-27(32)26(24-5-3-2-4-6-24)31-17-15-30(16-18-31)20-23-11-9-22(19-28)10-12-23/h2-14,26H,15-18,20H2,1H3,(H,29,32)/p+1/t26-/m0/s1