(2S)-N-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)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)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

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