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

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H23N5OS/c1-3-10-23-14(2)21-24(19(23)26)13-22-11-8-15(9-12-22)18-20-16-6-4-5-7-17(16)25-18/h3-7,15H,1,8-13H2,2H3/p+1