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

Systemtic Name: 3-[[2-(2,3-dimethylphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-diethyl-azanium Openeye Name: 3-[[2-(2,3-dimethylphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]propyl-diethyl-ammonium CAS Name: 3-[[2-(2,3-dimethylphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-diethylammonium IUPAC Name: 3-[[2-(2,3-dimethylphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-diethylazanium Traditional Name: 3-[[2-(2,3-dimethylphenyl)-1,3-diketo-4H-isoquinolin-4-yl]methyleneamino]propyl-diethyl-ammonium Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3C)C

Isomeric SMILES

CC[NH+](CC)CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3C)C

InChI

InChI=1S/C25H31N3O2/c1-5-27(6-2)16-10-15-26-17-22-20-12-7-8-13-21(20)24(29)28(25(22)30)23-14-9-11-18(3)19(23)4/h7-9,11-14,17,22H,5-6,10,15-16H2,1-4H3/p+1