methyl 3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H23ClN2O2/c1-15-6-7-18(21)13-19(15)23-10-8-22(9-11-23)14-16-4-3-5-17(12-16)20(24)25-2/h3-7,12-13H,8-11,14H2,1-2H3/p+1