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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-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-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-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-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C18H18N6O3 MolecularWeight: 366.37392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H18N6O3/c1-2-12-5-3-4-6-14(12)20-18-22-15(21-17(19)23-18)11-27-16(25)13-7-9-24(26)10-8-13/h3-10H,2,11H2,1H3,(H3,19,20,21,22,23)