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

Systemtic Name: [5-(2-chloranylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-(1H-indol-2-ylmethyl)-methyl-azanium Openeye Name: [4-allyl-5-(2-chloroallylsulfanyl)-1,2,4-triazol-3-yl]methyl-(1H-indol-2-ylmethyl)-methyl-ammonium CAS Name: [5-(2-chloroprop-2-enylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-(1H-indol-2-ylmethyl)-methylammonium IUPAC Name: [5-(2-chloroprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-(1H-indol-2-ylmethyl)-methylazanium Traditional Name: [4-allyl-5-(2-chloroallylthio)-1,2,4-triazol-3-yl]methyl-(1H-indol-2-ylmethyl)-methyl-ammonium Formula: C19H23ClN5S+ MolecularWeight: 388.93742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2N1)CC3=NN=C(N3CC=C)SCC(=C)Cl

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2N1)CC3=NN=C(N3CC=C)SCC(=C)Cl

InChI

InChI=1S/C19H22ClN5S/c1-4-9-25-18(22-23-19(25)26-13-14(2)20)12-24(3)11-16-10-15-7-5-6-8-17(15)21-16/h4-8,10,21H,1-2,9,11-13H2,3H3/p+1