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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(isobutylamino)-2-oxo-ethyl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide CAS Name: N-(5-methyl-3-isoxazolyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(isobutylamino)-2-keto-ethyl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide Formula: C15H26N5O3+ MolecularWeight: 324.39864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N5O3/c1-11(2)9-16-14(21)10-19-4-6-20(7-5-19)15(22)17-13-8-12(3)23-18-13/h8,11H,4-7,9-10H2,1-3H3,(H,16,21)(H,17,18,22)/p+1