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

Systemtic Name: 3-[[2-(3,4-dimethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(3,4-dimethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[2-(3,4-dimethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[2-(3,4-dimethoxyphenyl)-1,3-diketo-4H-isoquinolin-4-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-25(2)13-7-12-24-15-19-17-8-5-6-9-18(17)22(27)26(23(19)28)16-10-11-20(29-3)21(14-16)30-4/h5-6,8-11,14-15,19H,7,12-13H2,1-4H3/p+1