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

Systemtic Name: 4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H21ClN3+ MolecularWeight: 326.84314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3/c1-15-2-7-18(20)12-19(15)23-10-8-22(9-11-23)14-17-5-3-16(13-21)4-6-17/h2-7,12H,8-11,14H2,1H3/p+1