5,5-dimethyl-2-(3-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazolidine-3-thione

Systemtic Name: 5,5-dimethyl-2-(3-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazolidine-3-thione Openeye Name: 5,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)-2-(m-tolyl)-1,2,4-triazolidine-3-thione CAS Name: 5,5-dimethyl-2-(3-methylphenyl)-4-(4-morpholin-4-iumylmethyl)-1,2,4-triazolidine-3-thione IUPAC Name: 5,5-dimethyl-2-(3-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazolidine-3-thione Traditional Name: 5,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)-2-(m-tolyl)-1,2,4-triazolidine-3-thione Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=S)N(C(N2)(C)C)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=S)N(C(N2)(C)C)C[NH+]3CCOCC3

InChI

InChI=1S/C16H24N4OS/c1-13-5-4-6-14(11-13)20-15(22)19(16(2,3)17-20)12-18-7-9-21-10-8-18/h4-6,11,17H,7-10,12H2,1-3H3/p+1