6-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazino)nicotinonitrile Formula: C22H22N5O+ MolecularWeight: 372.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H21N5O/c1-28-19-8-5-17(6-9-19)20-10-7-18(16-23)22(25-20)27-14-12-26(13-15-27)21-4-2-3-11-24-21/h2-11H,12-15H2,1H3/p+1