1-[[3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)N)C

InChI

InChI=1S/C19H27N5O2S/c1-13-4-5-16(10-14(13)2)26-11-17-21-24(19(27)22(17)3)12-23-8-6-15(7-9-23)18(20)25/h4-5,10,15H,6-9,11-12H2,1-3H3,(H2,20,25)/p+1