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

Systemtic Name: 1-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5OS/c1-3-11-23-15(2)21-24(19(23)26)14-22-12-9-16(10-13-22)18(25)20-17-7-5-4-6-8-17/h3-8,16H,1,9-14H2,2H3,(H,20,25)/p+1