2-[4-[2-oxidanylidene-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-oxidanylidene-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[(3-isopropylisoxazol-5-yl)amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-oxo-2-[(3-propan-2-yl-5-isoxazolyl)amino]ethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[(3-isopropylisoxazol-5-yl)amino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NCC=C

Isomeric SMILES

CC(C)C1=NOC(=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NCC=C

InChI

InChI=1S/C17H27N5O3/c1-4-5-18-15(23)11-21-6-8-22(9-7-21)12-16(24)19-17-10-14(13(2)3)20-25-17/h4,10,13H,1,5-9,11-12H2,2-3H3,(H,18,23)(H,19,24)/p+1