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

Systemtic Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-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=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

InChI

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