1-[(E)-2-methylbut-2-enyl]-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium

Systemtic Name: 1-[(E)-2-methylbut-2-enyl]-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium Openeye Name: 1-[(E)-2-methylbut-2-enyl]-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium CAS Name: 1-[(E)-2-methylbut-2-enyl]-4-[4-methyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: 1-[(E)-2-methylbut-2-enyl]-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium Traditional Name: 1-[(E)-2-methylbut-2-enyl]-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium Formula: C20H37N5S+2 MolecularWeight: 379.60628

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(CC1)C2=NN=C(N2C)SCC[NH+]3CCCCC3

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC(CC1)C2=NN=C(N2C)SCC[NH+]3CCCCC3

InChI

InChI=1S/C20H35N5S/c1-4-17(2)16-25-12-8-18(9-13-25)19-21-22-20(23(19)3)26-15-14-24-10-6-5-7-11-24/h4,18H,5-16H2,1-3H3/p+2/b17-4+