1,3-benzodioxol-5-ylmethyl-[[5-(2-chloranylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(2-chloranylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-methyl-azanium Openeye Name: [4-allyl-5-(2-chloroallylsulfanyl)-1,2,4-triazol-3-yl]methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(2-chloroprop-2-enylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(2-chloroprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-methylazanium Traditional Name: [4-allyl-5-(2-chloroallylthio)-1,2,4-triazol-3-yl]methyl-methyl-piperonyl-ammonium Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NN=C(N3CC=C)SCC(=C)Cl

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NN=C(N3CC=C)SCC(=C)Cl

InChI

InChI=1S/C18H21ClN4O2S/c1-4-7-23-17(20-21-18(23)26-11-13(2)19)10-22(3)9-14-5-6-15-16(8-14)25-12-24-15/h4-6,8H,1-2,7,9-12H2,3H3/p+1