2-azanyl-4-(cyanomethyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[4-(2-methoxyphenyl)-1-piperazinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3,5-dicarbonitrile Formula: C20H20N7O+ MolecularWeight: 374.4191

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=[NH+]C(=C(C(=C3C#N)CC#N)C#N)N

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=[NH+]C(=C(C(=C3C#N)CC#N)C#N)N

InChI

InChI=1S/C20H19N7O/c1-28-18-5-3-2-4-17(18)26-8-10-27(11-9-26)20-16(13-23)14(6-7-21)15(12-22)19(24)25-20/h2-5H,6,8-11H2,1H3,(H2,24,25)/p+1