6-[(4-methoxyphenyl)methyl]-3-[(4-methylpiperazin-4-ium-1-yl)amino]-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(4-methoxyphenyl)methyl]-3-[(4-methylpiperazin-4-ium-1-yl)amino]-2H-1,2,4-triazin-5-one Openeye Name: 6-[(4-methoxyphenyl)methyl]-3-[(4-methylpiperazin-4-ium-1-yl)amino]-2H-1,2,4-triazin-5-one CAS Name: 6-[(4-methoxyphenyl)methyl]-3-[(4-methyl-1-piperazin-4-iumyl)amino]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(4-methoxyphenyl)methyl]-3-[(4-methylpiperazin-4-ium-1-yl)amino]-2H-1,2,4-triazin-5-one Traditional Name: 3-[(4-methylpiperazin-4-ium-1-yl)amino]-6-p-anisyl-2H-1,2,4-triazin-5-one Formula: C16H23N6O2+ MolecularWeight: 331.39282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC2=NC(=O)C(=NN2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C16H22N6O2/c1-21-7-9-22(10-8-21)20-16-17-15(23)14(18-19-16)11-12-3-5-13(24-2)6-4-12/h3-6H,7-11H2,1-2H3,(H2,17,19,20,23)/p+1