2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-2-10-20-16(14-6-4-3-5-7-14)18-21(17(20)23)13-19-11-8-15(22)9-12-19/h2-7,15,22H,1,8-13H2/p+1