3-[[2-(2,5-dimethoxyphenyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[2-(2,5-dimethoxyphenyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]propyl-diethyl-azanium Openeye Name: 3-[[2-(2,5-dimethoxyphenyl)-1,3-dioxo-4-isoquinolylidene]methylamino]propyl-diethyl-ammonium CAS Name: 3-[[2-(2,5-dimethoxyphenyl)-1,3-dioxo-4-isoquinolinylidene]methylamino]propyl-diethylammonium IUPAC Name: 3-[[2-(2,5-dimethoxyphenyl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]propyl-diethylazanium Traditional Name: 3-[[2-(2,5-dimethoxyphenyl)-1,3-diketo-4-isoquinolylidene]methylamino]propyl-diethyl-ammonium Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC[NH+](CC)CCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=C(C=CC(=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)22-16-18(31-3)12-13-23(22)32-4/h7-8,10-13,16-17,26H,5-6,9,14-15H2,1-4H3/p+1