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

Systemtic Name: 4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium CAS Name: 4-[4-methyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium IUPAC Name: 4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium Formula: C24H37N5S+2 MolecularWeight: 427.64908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCCC2)C3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H35N5S/c1-27-23(25-26-24(27)30-20-19-28-14-6-3-7-15-28)22-12-17-29(18-13-22)16-8-11-21-9-4-2-5-10-21/h2,4-5,8-11,22H,3,6-7,12-20H2,1H3/p+2/b11-8+