2-[[4-methyl-5-[(2-methylquinolin-1-ium-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-methyl-5-[(2-methylquinolin-1-ium-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-[(2-methylquinolin-1-ium-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[(2-methyl-8-quinolin-1-iumyl)oxymethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-[(2-methylquinolin-1-ium-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-[(2-methylquinolin-1-ium-8-yl)oxymethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC=C2OCC3=NN=C(N3C)SCC(=O)[O-])C=C1

Isomeric SMILES

CC1=[NH+]C2=C(C=CC=C2OCC3=NN=C(N3C)SCC(=O)[O-])C=C1

InChI

InChI=1S/C16H16N4O3S/c1-10-6-7-11-4-3-5-12(15(11)17-10)23-8-13-18-19-16(20(13)2)24-9-14(21)22/h3-7H,8-9H2,1-2H3,(H,21,22)