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

Systemtic Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H26N4O3/c1-22-21(27)23-20(26)19(16-8-4-3-5-9-16)25-14-12-24(13-15-25)17-10-6-7-11-18(17)28-2/h3-11,19H,12-15H2,1-2H3,(H2,22,23,26,27)/p+1/t19-/m0/s1