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

Systemtic Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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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)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H29N3O2/c1-20-12-14-22(15-13-20)27-26(30)25(21-8-4-3-5-9-21)29-18-16-28(17-19-29)23-10-6-7-11-24(23)31-2/h3-15,25H,16-19H2,1-2H3,(H,27,30)/p+1/t25-/m0/s1