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

Systemtic Name: (2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propionamide Formula: C21H32ClN4O2+ MolecularWeight: 407.95738

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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)NC3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C21H31ClN4O2/c1-15-8-9-17(22)14-19(15)26-12-10-25(11-13-26)16(2)20(27)24-21(28)23-18-6-4-3-5-7-18/h8-9,14,16,18H,3-7,10-13H2,1-2H3,(H2,23,24,27,28)/p+1/t16-/m1/s1