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

Systemtic Name: 3-[[2-(3-chlorophenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(3-chlorophenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(3-chlorophenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[2-(3-chlorophenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[2-(3-chlorophenyl)-1,3-diketo-4H-isoquinolin-4-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2/c1-24(2)12-6-11-23-14-19-17-9-3-4-10-18(17)20(26)25(21(19)27)16-8-5-7-15(22)13-16/h3-5,7-10,13-14,19H,6,11-12H2,1-2H3/p+1