4-[(1R,2S)-2-methylcyclohexyl]-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-[(1R,2S)-2-methylcyclohexyl]-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-[(1R,2S)-2-methylcyclohexyl]-2-(morpholin-4-ium-4-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-[(1R,2S)-2-methylcyclohexyl]-2-(4-morpholin-4-iumylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-[(1R,2S)-2-methylcyclohexyl]-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-[(1R,2S)-2-methylcyclohexyl]-2-(morpholin-4-ium-4-ylmethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CN=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@H]1N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CN=CC=C4

InChI

InChI=1S/C19H27N5OS/c1-15-5-2-3-7-17(15)24-18(16-6-4-8-20-13-16)21-23(19(24)26)14-22-9-11-25-12-10-22/h4,6,8,13,15,17H,2-3,5,7,9-12,14H2,1H3/p+1/t15-,17+/m0/s1