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

Systemtic Name: 4-[[4-(2-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-o-anisoylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O2/c1-25-19-5-3-2-4-18(19)20(24)23-12-10-22(11-13-23)15-17-8-6-16(14-21)7-9-17/h2-9H,10-13,15H2,1H3/p+1