3-[[2-(5-chloranylpyridin-2-yl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-diethyl-azanium

Systemtic Name: 3-[[2-(5-chloranylpyridin-2-yl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]propyl-diethyl-azanium Openeye Name: 3-[[2-(5-chloro-2-pyridyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]propyl-diethyl-ammonium CAS Name: 3-[[2-(5-chloro-2-pyridinyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-diethylammonium IUPAC Name: 3-[[2-(5-chloropyridin-2-yl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]propyl-diethylazanium Traditional Name: 3-[[2-(5-chloro-2-pyridyl)-1,3-diketo-4H-isoquinolin-4-yl]methyleneamino]propyl-diethyl-ammonium Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O2/c1-3-26(4-2)13-7-12-24-15-19-17-8-5-6-9-18(17)21(28)27(22(19)29)20-11-10-16(23)14-25-20/h5-6,8-11,14-15,19H,3-4,7,12-13H2,1-2H3/p+1