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

Systemtic Name: 3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H21ClN3+ MolecularWeight: 326.84314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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