3-(3-chloranyl-4-methyl-phenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]propanamide

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]propanamide Openeye Name: 3-(3-chloro-4-methyl-phenyl)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]propanamide CAS Name: 3-(3-chloro-4-methylphenyl)-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]propanamide IUPAC Name: 3-(3-chloro-4-methylphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]propanamide Traditional Name: 3-(3-chloro-4-methyl-phenyl)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]propionamide Formula: C23H31ClN3O+ MolecularWeight: 400.96474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)CCC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)CCC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C23H30ClN3O/c1-18-4-3-5-21(16-18)27-14-12-26(13-15-27)11-10-25-23(28)9-8-20-7-6-19(2)22(24)17-20/h3-7,16-17H,8-15H2,1-2H3,(H,25,28)/p+1