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

Systemtic Name: 2-[[2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]ethyl-diethyl-ammonium CAS Name: 2-[[2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]ethyl-diethylammonium IUPAC Name: 2-[[2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]ethyl-diethylazanium Traditional Name: 2-[(1,3-diketo-2-p-phenetyl-4H-isoquinolin-4-yl)methyleneamino]ethyl-diethyl-ammonium Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-4-26(5-2)16-15-25-17-22-20-9-7-8-10-21(20)23(28)27(24(22)29)18-11-13-19(14-12-18)30-6-3/h7-14,17,22H,4-6,15-16H2,1-3H3/p+1