5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(1-piperidin-1-iumylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCCCC2)C3COC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCCCC2)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H24N4O2S/c1-2-10-22-18(17-13-24-15-8-4-5-9-16(15)25-17)20-23(19(22)26)14-21-11-6-3-7-12-21/h2,4-5,8-9,17H,1,3,6-7,10-14H2/p+1/t17-/m1/s1