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

Systemtic Name: 3-chloranyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-chloro-4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H21ClN3O+ MolecularWeight: 342.84254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C19H20ClN3O/c1-24-19-5-3-2-4-18(19)23-10-8-22(9-11-23)14-16-7-6-15(13-21)12-17(16)20/h2-7,12H,8-11,14H2,1H3/p+1