(2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide

Systemtic Name: (2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide CAS Name: (2R)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: (2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C(C)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26ClN3O2/c1-15-7-8-17(22)13-20(15)25-11-9-24(10-12-25)16(2)21(26)23-18-5-4-6-19(14-18)27-3/h4-8,13-14,16H,9-12H2,1-3H3,(H,23,26)/p+1/t16-/m1/s1