3-(1-adamantyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1-adamantyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-[3-(4-morpholin-4-iumyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Formula: C19H31N4OS+ MolecularWeight: 363.54064

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H30N4OS/c25-18-21-20-17(23(18)3-1-2-22-4-6-24-7-5-22)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,1-13H2,(H,21,25)/p+1