N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-6-methylsulfanyl-quinolin-1-ium-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-6-methylsulfanyl-quinolin-1-ium-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-6-methylsulfanyl-quinolin-1-ium-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-6-(methylthio)-2-quinolin-1-iumamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-6-methylsulfanylquinolin-1-ium-2-amine Traditional Name: [4-methyl-6-(methylthio)quinolin-1-ium-2-yl]-piperonyl-amine Formula: C19H19N2O2S+ MolecularWeight: 339.43136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O2S/c1-12-7-19(21-16-5-4-14(24-2)9-15(12)16)20-10-13-3-6-17-18(8-13)23-11-22-17/h3-9H,10-11H2,1-2H3,(H,20,21)/p+1