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

Systemtic Name: 2-[[2-(3-chlorophenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-(3-chlorophenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]ethyl-diethyl-ammonium CAS Name: 2-[[2-(3-chlorophenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]ethyl-diethylammonium IUPAC Name: 2-[[2-(3-chlorophenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]ethyl-diethylazanium Traditional Name: 2-[[2-(3-chlorophenyl)-1,3-diketo-4H-isoquinolin-4-yl]methyleneamino]ethyl-diethyl-ammonium Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2/c1-3-25(4-2)13-12-24-15-20-18-10-5-6-11-19(18)21(27)26(22(20)28)17-9-7-8-16(23)14-17/h5-11,14-15,20H,3-4,12-13H2,1-2H3/p+1