1-[4-methyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]pyridin-1-ium-4-carboxylic acid

Systemtic Name: 1-[4-methyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]pyridin-1-ium-4-carboxylic acid Openeye Name: 1-[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyridin-1-ium-4-carboxylic acid CAS Name: 1-[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[4-methyl-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyridin-1-ium-4-carboxylic acid Traditional Name: 1-[4-methyl-6-(p-toluidino)-s-triazin-2-yl]pyridin-1-ium-4-carboxylic acid Formula: C17H16N5O2+ MolecularWeight: 322.34124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)[N+]3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)[N+]3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H15N5O2/c1-11-3-5-14(6-4-11)20-16-18-12(2)19-17(21-16)22-9-7-13(8-10-22)15(23)24/h3-10H,1-2H3,(H-,18,19,20,21,23,24)/p+1