N-(1,3-benzodioxol-5-yl)-1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Formula: C19H24N5O3S+ MolecularWeight: 402.49056

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCN1C=NN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N5O3S/c1-2-7-23-11-20-24(19(23)28)12-22-8-5-14(6-9-22)18(25)21-15-3-4-16-17(10-15)27-13-26-16/h2-4,10-11,14H,1,5-9,12-13H2,(H,21,25)/p+1