N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-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-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-allyl-3-methyl-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-[(3-methyl-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-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Formula: C20H26N5O3S+ MolecularWeight: 416.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N5O3S/c1-3-8-24-14(2)22-25(20(24)29)12-23-9-6-15(7-10-23)19(26)21-16-4-5-17-18(11-16)28-13-27-17/h3-5,11,15H,1,6-10,12-13H2,2H3,(H,21,26)/p+1