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

Systemtic Name: (2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2R)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C16H24ClN4O2+ MolecularWeight: 339.84036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O2/c1-11-4-5-13(17)10-14(11)21-8-6-20(7-9-21)12(2)15(22)19-16(23)18-3/h4-5,10,12H,6-9H2,1-3H3,(H2,18,19,22,23)/p+1/t12-/m1/s1