2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

InChI

InChI=1S/C17H23N5OS/c1-4-8-21-16(15-6-5-7-18-9-15)19-22(17(21)24)12-20-10-13(2)23-14(3)11-20/h4-7,9,13-14H,1,8,10-12H2,2-3H3/p+1/t13-,14-/m0/s1