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

Systemtic Name: 3-[[2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]methylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(3,4-dimethylphenyl)-1,3-dioxo-4-isoquinolylidene]methylamino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(3,4-dimethylphenyl)-1,3-dioxo-4-isoquinolinylidene]methylamino]propyl-dimethylammonium IUPAC Name: 3-[[2-(3,4-dimethylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(3,4-dimethylphenyl)-1,3-diketo-4-isoquinolylidene]methylamino]propyl-dimethyl-ammonium Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-16-10-11-18(14-17(16)2)26-22(27)20-9-6-5-8-19(20)21(23(26)28)15-24-12-7-13-25(3)4/h5-6,8-11,14-15,24H,7,12-13H2,1-4H3/p+1