2-methyl-8-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methoxy]quinolin-1-ium

Systemtic Name: 2-methyl-8-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methoxy]quinolin-1-ium Openeye Name: 8-[(4-allyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methoxy]-2-methyl-quinolin-1-ium CAS Name: 2-methyl-8-[[5-(methylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methoxy]quinolin-1-ium IUPAC Name: 2-methyl-8-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methoxy]quinolin-1-ium Traditional Name: 8-[[4-allyl-5-(methylthio)-1,2,4-triazol-3-yl]methoxy]-2-methyl-quinolin-1-ium Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC=C2OCC3=NN=C(N3CC=C)SC)C=C1

Isomeric SMILES

CC1=[NH+]C2=C(C=CC=C2OCC3=NN=C(N3CC=C)SC)C=C1

InChI

InChI=1S/C17H18N4OS/c1-4-10-21-15(19-20-17(21)23-3)11-22-14-7-5-6-13-9-8-12(2)18-16(13)14/h4-9H,1,10-11H2,2-3H3/p+1