2-[[2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(3,4-dimethylphenyl)-1,3-dioxo-4-isoquinolylidene]methylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(3,4-dimethylphenyl)-1,3-dioxo-4-isoquinolinylidene]methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(3,4-dimethylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]ethyl-dimethylazanium Traditional Name: 2-[[2-(3,4-dimethylphenyl)-1,3-diketo-4-isoquinolylidene]methylamino]ethyl-dimethyl-ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC[NH+](C)C)C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC[NH+](C)C)C2=O)C

InChI

InChI=1S/C22H25N3O2/c1-15-9-10-17(13-16(15)2)25-21(26)19-8-6-5-7-18(19)20(22(25)27)14-23-11-12-24(3)4/h5-10,13-14,23H,11-12H2,1-4H3/p+1