N'-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide

Systemtic Name: N'-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide Openeye Name: N'-[(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]-1-oxido-pyridin-1-ium-3-carbohydrazide CAS Name: N'-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]-1-oxido-3-pyridin-1-iumcarbohydrazide IUPAC Name: N'-[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1-oxidopyridin-1-ium-3-carbohydrazide Traditional Name: N'-[(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]-1-oxido-pyridin-1-ium-3-carbohydrazide Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H23N3O3S/c1-19(2,3)14-6-7-15-13(9-14)10-16(26-15)18(24)21-20-17(23)12-5-4-8-22(25)11-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3,(H,20,23)(H,21,24)/t14-/m0/s1