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

Systemtic Name: (3S)-1-[(E)-2-methylbut-2-enyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium Openeye Name: (3S)-3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium CAS Name: (3S)-1-[(E)-2-methylbut-2-enyl]-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: (3S)-1-[(E)-2-methylbut-2-enyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium Traditional Name: (3S)-3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]-1-[(E)-2-methylbut-2-enyl]piperidin-1-ium Formula: C16H27N4S+ MolecularWeight: 307.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCCC(C1)C2=NN=C(N2C)SCC=C

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC[C@@H](C1)C2=NN=C(N2C)SCC=C

InChI

InChI=1S/C16H26N4S/c1-5-10-21-16-18-17-15(19(16)4)14-8-7-9-20(12-14)11-13(3)6-2/h5-6,14H,1,7-12H2,2-4H3/p+1/b13-6+/t14-/m0/s1