ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-morpholinoquinolin-1-ium-3-yl)acrylic acid ethyl ester Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC2=CC=CC=C2[NH+]=C1N3CCOCC3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC2=CC=CC=C2[NH+]=C1N3CCOCC3)/C#N

InChI

InChI=1S/C19H19N3O3/c1-2-25-19(23)16(13-20)12-15-11-14-5-3-4-6-17(14)21-18(15)22-7-9-24-10-8-22/h3-6,11-12H,2,7-10H2,1H3/p+1/b16-12+