(E)-2-cyano-N-(4-ethylphenyl)-3-(7-methyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4-ethylphenyl)-3-(7-methyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-ethylphenyl)-3-(7-methyl-2-morpholino-quinolin-1-ium-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-ethylphenyl)-3-[7-methyl-2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-ethylphenyl)-3-(7-methyl-2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4-ethylphenyl)-3-(7-methyl-2-morpholino-quinolin-1-ium-3-yl)acrylamide Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=C([NH+]=C3C=C(C=CC3=C2)C)N4CCOCC4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)/C(=C/C2=C([NH+]=C3C=C(C=CC3=C2)C)N4CCOCC4)/C#N

InChI

InChI=1S/C26H26N4O2/c1-3-19-5-8-23(9-6-19)28-26(31)22(17-27)16-21-15-20-7-4-18(2)14-24(20)29-25(21)30-10-12-32-13-11-30/h4-9,14-16H,3,10-13H2,1-2H3,(H,28,31)/p+1/b22-16+