(Z)-2-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile

Systemtic Name: (Z)-2-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile Openeye Name: (Z)-2-(3,4-dimethoxyphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enenitrile CAS Name: (Z)-2-(3,4-dimethoxyphenyl)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenenitrile IUPAC Name: (Z)-2-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile Traditional Name: (Z)-2-(3,4-dimethoxyphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)acrylonitrile Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)/C#N)OC

InChI

InChI=1S/C24H23N3O3/c1-28-22-8-7-17(15-23(22)29-2)20(16-25)14-19-13-18-5-3-4-6-21(18)26-24(19)27-9-11-30-12-10-27/h3-8,13-15H,9-12H2,1-2H3/p+1/b20-14+