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

Systemtic Name: 6-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)nicotinonitrile Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C18H20N4O/c1-21-9-11-22(12-10-21)18-15(13-19)5-8-17(20-18)14-3-6-16(23-2)7-4-14/h3-8H,9-12H2,1-2H3/p+1