(Z)-2-(3-methoxyphenyl)-3-(6-piperidin-1-ylpyridin-1-ium-3-yl)prop-2-enenitrile

Systemtic Name: (Z)-2-(3-methoxyphenyl)-3-(6-piperidin-1-ylpyridin-1-ium-3-yl)prop-2-enenitrile Openeye Name: (Z)-2-(3-methoxyphenyl)-3-[6-(1-piperidyl)pyridin-1-ium-3-yl]prop-2-enenitrile CAS Name: (Z)-2-(3-methoxyphenyl)-3-[6-(1-piperidinyl)-3-pyridin-1-iumyl]-2-propenenitrile IUPAC Name: (Z)-2-(3-methoxyphenyl)-3-(6-piperidin-1-ylpyridin-1-ium-3-yl)prop-2-enenitrile Traditional Name: (Z)-2-(3-methoxyphenyl)-3-(6-piperidinopyridin-1-ium-3-yl)acrylonitrile Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=CC2=C[NH+]=C(C=C2)N3CCCCC3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)/C(=C/C2=C[NH+]=C(C=C2)N3CCCCC3)/C#N

InChI

InChI=1S/C20H21N3O/c1-24-19-7-5-6-17(13-19)18(14-21)12-16-8-9-20(22-15-16)23-10-3-2-4-11-23/h5-9,12-13,15H,2-4,10-11H2,1H3/p+1/b18-12+