(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O2/c1-21-8-13-26(34-2)25(18-21)30-28(33)27(24-6-4-3-5-7-24)32-16-14-31(15-17-32)20-23-11-9-22(19-29)10-12-23/h3-13,18,27H,14-17,20H2,1-2H3,(H,30,33)/p+1/t27-/m0/s1