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

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C22H28N4O2/c1-3-23-22(28)24-21(27)20(18-10-5-4-6-11-18)26-15-13-25(14-16-26)19-12-8-7-9-17(19)2/h4-12,20H,3,13-16H2,1-2H3,(H2,23,24,27,28)/p+1/t20-/m0/s1