6-[(E)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(2-morpholinoquinolin-1-ium-3-yl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C24H22N3O4+ MolecularWeight: 416.44918

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2C=CC(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2/C=C/C(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C24H21N3O4/c28-21(17-6-8-22-20(14-17)25-23(29)15-31-22)7-5-18-13-16-3-1-2-4-19(16)26-24(18)27-9-11-30-12-10-27/h1-8,13-14H,9-12,15H2,(H,25,29)/p+1/b7-5+