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

Systemtic Name: 3-[[2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-diethyl-azanium Openeye Name: 3-[[2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]propyl-diethyl-ammonium CAS Name: 3-[[2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-diethylammonium IUPAC Name: 3-[[2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-diethylazanium Traditional Name: 3-[(1,3-diketo-2-p-phenetyl-4H-isoquinolin-4-yl)methyleneamino]propyl-diethyl-ammonium Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-4-27(5-2)17-9-16-26-18-23-21-10-7-8-11-22(21)24(29)28(25(23)30)19-12-14-20(15-13-19)31-6-3/h7-8,10-15,18,23H,4-6,9,16-17H2,1-3H3/p+1