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

Systemtic Name: 1-[4-methyl-6-[(4-methyl-3-sulfo-phenyl)amino]-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[4-methyl-6-(4-methyl-3-sulfo-anilino)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[4-methyl-6-(4-methyl-3-sulfoanilino)-1,3,5-triazin-2-yl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[4-methyl-6-(4-methyl-3-sulfoanilino)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[4-methyl-6-(4-methyl-3-sulfo-anilino)-s-triazin-2-yl]pyridin-1-ium-3-carboxylic acid Formula: C17H16N5O5S+ MolecularWeight: 402.40444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O5S/c1-10-5-6-13(8-14(10)28(25,26)27)20-16-18-11(2)19-17(21-16)22-7-3-4-12(9-22)15(23)24/h3-9H,1-2H3,(H2-,18,19,20,21,23,24,25,26,27)/p+1