2-(morpholin-4-ium-4-ylmethyl)-5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-morpholino-1,2,4-triazole-3-thione CAS Name: 2-(4-morpholin-4-iumylmethyl)-5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-morpholin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-(morpholin-4-ium-4-ylmethyl)-5-morpholino-1,2,4-triazole-3-thione Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H25N5O2S/c26-18-22(14-16-4-2-1-3-5-16)17(21-8-12-25-13-9-21)19-23(18)15-20-6-10-24-11-7-20/h1-5H,6-15H2/p+1