5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-6-oxidanyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-6-oxidanyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 6-hydroxy-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 6-hydroxy-5-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 6-hydroxy-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 6-hydroxy-2-keto-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1H-pyridine-3-carbonitrile Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)O)C#N

InChI

InChI=1S/C19H22N4O3/c1-13-16(11-20)18(24)21-19(25)17(13)12-22-7-9-23(10-8-22)14-3-5-15(26-2)6-4-14/h3-6H,7-10,12H2,1-2H3,(H2,21,24,25)/p+1