4-tert-butyl-N'-[2-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)ethanoyl]benzohydrazide

Systemtic Name: 4-tert-butyl-N'-[2-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)ethanoyl]benzohydrazide Openeye Name: 4-tert-butyl-N'-[2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetyl]benzohydrazide CAS Name: 4-tert-butyl-N'-[1-oxo-2-(5-oxo-1,4-diazepan-1-ium-1-yl)ethyl]benzohydrazide IUPAC Name: 4-tert-butyl-N'-[2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetyl]benzohydrazide Traditional Name: 4-tert-butyl-N'-[2-(5-keto-1,4-diazepan-1-ium-1-yl)acetyl]benzohydrazide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C[NH+]2CCC(=O)NCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C[NH+]2CCC(=O)NCC2

InChI

InChI=1S/C18H26N4O3/c1-18(2,3)14-6-4-13(5-7-14)17(25)21-20-16(24)12-22-10-8-15(23)19-9-11-22/h4-7H,8-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,25)/p+1