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

Systemtic Name: 3-[[2-(2,4-dimethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-diethyl-azanium Openeye Name: 3-[[2-(2,4-dimethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]propyl-diethyl-ammonium CAS Name: 3-[[2-(2,4-dimethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-diethylammonium IUPAC Name: 3-[[2-(2,4-dimethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-diethylazanium Traditional Name: 3-[[2-(2,4-dimethoxyphenyl)-1,3-diketo-4H-isoquinolin-4-yl]methyleneamino]propyl-diethyl-ammonium Formula: C25H32N3O4+ MolecularWeight: 438.53928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-5-27(6-2)15-9-14-26-17-21-19-10-7-8-11-20(19)24(29)28(25(21)30)22-13-12-18(31-3)16-23(22)32-4/h7-8,10-13,16-17,21H,5-6,9,14-15H2,1-4H3/p+1