N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(4-oxo-1-cinnolinyl)acetamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-(4-oxocinnolin-1-yl)acetamide Traditional Name: 2-(4-ketocinnolin-1-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C23H26N4O3/c1-17-6-8-18(9-7-17)20(15-26-10-12-30-13-11-26)25-23(29)16-27-21-5-3-2-4-19(21)22(28)14-24-27/h2-9,14,20H,10-13,15-16H2,1H3,(H,25,29)/p+1/t20-/m0/s1