4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-(5-methylisoxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-(5-methylisoxazol-3-yl)-1,4-diazepan-4-ium-1-carboxamide Formula: C16H28N5O3+ MolecularWeight: 338.42522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C16H27N5O3/c1-12-10-13(19-24-12)17-15(23)21-7-5-6-20(8-9-21)11-14(22)18-16(2,3)4/h10H,5-9,11H2,1-4H3,(H,18,22)(H,17,19,23)/p+1