1-[(E)-2-methyl-3-phenyl-prop-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-methyl-3-phenyl-prop-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-methyl-3-phenyl-allyl]-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium CAS Name: 1-[(E)-2-methyl-3-phenylprop-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-methyl-3-phenylprop-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-methyl-3-phenyl-allyl]-4-[4-methyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]piperidin-1-ium Formula: C25H39N5S+2 MolecularWeight: 441.67566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)C3=NN=C(N3C)SCC[NH+]4CCCCC4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)C3=NN=C(N3C)SCC[NH+]4CCCCC4

InChI

InChI=1S/C25H37N5S/c1-21(19-22-9-5-3-6-10-22)20-30-15-11-23(12-16-30)24-26-27-25(28(24)2)31-18-17-29-13-7-4-8-14-29/h3,5-6,9-10,19,23H,4,7-8,11-18,20H2,1-2H3/p+2/b21-19+