[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H16N6O3/c1-11-4-2-3-5-13(11)19-17-21-14(20-16(18)22-17)10-26-15(24)12-6-8-23(25)9-7-12/h2-9H,10H2,1H3,(H3,18,19,20,21,22)