4-[(2E,4E)-6-(1-methylpyrrolidin-1-ium-1-yl)hexa-2,4-dienyl]sulfanyl-2H-1,2,3-triazole

Systemtic Name: 4-[(2E,4E)-6-(1-methylpyrrolidin-1-ium-1-yl)hexa-2,4-dienyl]sulfanyl-2H-1,2,3-triazole Openeye Name: 4-[(2E,4E)-6-(1-methylpyrrolidin-1-ium-1-yl)hexa-2,4-dienyl]sulfanyl-2H-triazole CAS Name: 4-[[(2E,4E)-6-(1-methyl-1-pyrrolidin-1-iumyl)hexa-2,4-dienyl]thio]-2H-triazole IUPAC Name: 4-[(2E,4E)-6-(1-methylpyrrolidin-1-ium-1-yl)hexa-2,4-dienyl]sulfanyl-2H-triazole Traditional Name: 4-[[(2E,4E)-6-(1-methylpyrrolidin-1-ium-1-yl)hexa-2,4-dienyl]thio]-2H-triazole Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC=CC=CCSC2=NNN=C2

Isomeric SMILES

C[N+]1(CCCC1)C/C=C/C=C/CSC2=NNN=C2

InChI

InChI=1S/C13H21N4S/c1-17(9-5-6-10-17)8-4-2-3-7-11-18-13-12-14-16-15-13/h2-4,7,12H,5-6,8-11H2,1H3,(H,14,15,16)/q+1/b4-2+,7-3+