(E)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholino-quinolin-1-ium-3-yl)prop-2-enenitrile CAS Name: (E)-2-(3,4-dimethoxyphenyl)-3-[7-methyl-2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenenitrile IUPAC Name: (E)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(3,4-dimethoxyphenyl)-3-(7-methyl-2-morpholino-quinolin-1-ium-3-yl)acrylonitrile Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C=C(C#N)C3=CC(=C(C=C3)OC)OC)N4CCOCC4

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)/C=C(/C#N)\C3=CC(=C(C=C3)OC)OC)N4CCOCC4

InChI

InChI=1S/C25H25N3O3/c1-17-4-5-19-13-20(25(27-22(19)12-17)28-8-10-31-11-9-28)14-21(16-26)18-6-7-23(29-2)24(15-18)30-3/h4-7,12-15H,8-11H2,1-3H3/p+1/b21-14-