4-[[4-[2-(6-methyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(6-methyl-1-benzofuran-3-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(6-methylbenzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(6-methyl-1-benzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(6-methylbenzofuran-3-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H24N3O2+ MolecularWeight: 374.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23N3O2/c1-17-2-7-21-20(16-28-22(21)12-17)13-23(27)26-10-8-25(9-11-26)15-19-5-3-18(14-24)4-6-19/h2-7,12,16H,8-11,13,15H2,1H3/p+1