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

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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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)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C27H31N3O2/c1-20-13-14-25(32-3)23(19-20)28-27(31)26(22-10-5-4-6-11-22)30-17-15-29(16-18-30)24-12-8-7-9-21(24)2/h4-14,19,26H,15-18H2,1-3H3,(H,28,31)/p+1/t26-/m0/s1