2-[[2-(3,4-dimethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]ethyl-dimethylazanium Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-diketo-4H-isoquinolin-4-yl]methyleneamino]ethyl-dimethyl-ammonium Formula: C22H26N3O4+ MolecularWeight: 396.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O4/c1-24(2)12-11-23-14-18-16-7-5-6-8-17(16)21(26)25(22(18)27)15-9-10-19(28-3)20(13-15)29-4/h5-10,13-14,18H,11-12H2,1-4H3/p+1