N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propanamide

Systemtic Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propanamide Openeye Name: N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propanamide CAS Name: N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-3-phenylpropanamide IUPAC Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propionamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CCC[NH+]2CCOCC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CCC[NH+]2CCOCC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O4/c1-18-16-20(24-30-18)23-21(27)17-26(11-5-10-25-12-14-29-15-13-25)22(28)9-8-19-6-3-2-4-7-19/h2-4,6-7,16H,5,8-15,17H2,1H3,(H,23,24,27)/p+1