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

Systemtic Name: (3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium Openeye Name: (3S)-3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(E)-cinnamyl]piperidin-1-ium CAS Name: (3S)-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium IUPAC Name: (3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium Traditional Name: (3S)-3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]-1-[(E)-cinnamyl]piperidin-1-ium Formula: C20H27N4S+ MolecularWeight: 355.52018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCC[NH+](C2)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC=C)[C@H]2CCC[NH+](C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H26N4S/c1-3-15-25-20-22-21-19(23(20)2)18-12-8-14-24(16-18)13-7-11-17-9-5-4-6-10-17/h3-7,9-11,18H,1,8,12-16H2,2H3/p+1/b11-7+/t18-/m0/s1