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

Systemtic Name: (2S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)NC(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)NC(=O)NC

InChI

InChI=1S/C21H25ClN4O2/c1-15-8-9-17(22)14-18(15)25-10-12-26(13-11-25)19(16-6-4-3-5-7-16)20(27)24-21(28)23-2/h3-9,14,19H,10-13H2,1-2H3,(H2,23,24,27,28)/p+1/t19-/m0/s1