1-[4-azanyl-6-(2-hydroxyphenyl)carbonyloxy-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[4-azanyl-6-(2-hydroxyphenyl)carbonyloxy-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[4-amino-6-(2-hydroxybenzoyl)oxy-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[4-amino-6-[(2-hydroxyphenyl)-oxomethoxy]-1,3,5-triazin-2-yl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[4-amino-6-(2-hydroxybenzoyl)oxy-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-(4-amino-6-salicyloyloxy-s-triazin-2-yl)pyridin-1-ium-3-carboxylic acid Formula: C16H12N5O5+ MolecularWeight: 354.29698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=NC(=NC(=N2)N)[N+]3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=NC(=NC(=N2)N)[N+]3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C16H11N5O5/c17-14-18-15(21-7-3-4-9(8-21)12(23)24)20-16(19-14)26-13(25)10-5-1-2-6-11(10)22/h1-8H,(H3-,17,18,19,20,22,23,24,25)/p+1