3-(4-methoxyphenyl)-2-[1-(phenylmethyl)piperidin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-(4-methoxyphenyl)-2-[1-(phenylmethyl)piperidin-1-ium-1-yl]propanenitrile Openeye Name: 2-(1-benzylpiperidin-1-ium-1-yl)-3-(4-methoxyphenyl)propanenitrile CAS Name: 3-(4-methoxyphenyl)-2-[1-(phenylmethyl)-1-piperidin-1-iumyl]propanenitrile IUPAC Name: 2-(1-benzylpiperidin-1-ium-1-yl)-3-(4-methoxyphenyl)propanenitrile Traditional Name: 2-(1-benzylpiperidin-1-ium-1-yl)-3-(4-methoxyphenyl)propionitrile Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C#N)[N+]2(CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC(C#N)[N+]2(CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N2O/c1-25-22-12-10-19(11-13-22)16-21(17-23)24(14-6-3-7-15-24)18-20-8-4-2-5-9-20/h2,4-5,8-13,21H,3,6-7,14-16,18H2,1H3/q+1