4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C17H27N5O3/c1-14-12-15(19-25-14)18-17(24)22-10-8-20(9-11-22)13-16(23)21-6-4-2-3-5-7-21/h12H,2-11,13H2,1H3,(H,18,19,24)/p+1