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

Systemtic Name: 2-[[5-[(2-methylquinolin-1-ium-8-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(2-methylquinolin-1-ium-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-methyl-8-quinolin-1-iumyl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-methylquinolin-1-ium-8-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(2-methylquinolin-1-ium-8-yl)oxymethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC=C2OCC3=NN=C(N3CC=C)SCC(=O)[O-])C=C1

Isomeric SMILES

CC1=[NH+]C2=C(C=CC=C2OCC3=NN=C(N3CC=C)SCC(=O)[O-])C=C1

InChI

InChI=1S/C18H18N4O3S/c1-3-9-22-15(20-21-18(22)26-11-16(23)24)10-25-14-6-4-5-13-8-7-12(2)19-17(13)14/h3-8H,1,9-11H2,2H3,(H,23,24)