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

Systemtic Name: (2S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Openeye Name: (2S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide CAS Name: (2S)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(2-cyanophenyl)propanamide IUPAC Name: (2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Traditional Name: (2S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propionamide Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23ClN4O/c1-15-7-8-18(22)13-20(15)26-11-9-25(10-12-26)16(2)21(27)24-19-6-4-3-5-17(19)14-23/h3-8,13,16H,9-12H2,1-2H3,(H,24,27)/p+1/t16-/m0/s1