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

Systemtic Name: 2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H22N3O+ MolecularWeight: 308.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C19H21N3O/c1-23-19-8-4-7-18(13-19)22-11-9-21(10-12-22)15-17-6-3-2-5-16(17)14-20/h2-8,13H,9-12,15H2,1H3/p+1