5-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C19H27N4S+ MolecularWeight: 343.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H26N4S/c1-2-16-8-6-7-13-21(16)14-22-19(24)23(17-9-4-3-5-10-17)18(20-22)15-11-12-15/h3-5,9-10,15-16H,2,6-8,11-14H2,1H3/p+1/t16-/m0/s1