N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]propionamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O4/c1-18-6-8-19(9-7-18)20(16-26-12-14-30-15-13-26)25-23(28)10-11-27-21-4-2-3-5-22(21)31-17-24(27)29/h2-9,20H,10-17H2,1H3,(H,25,28)/p+1/t20-/m0/s1