3-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]propyl-dimethyl-azanium Openeye Name: 3-[[1,3-dioxo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]propyl-dimethyl-ammonium CAS Name: 3-[[1,3-dioxo-2-(2-pyridinyl)-4-isoquinolinylidene]methylamino]propyl-dimethylammonium IUPAC Name: 3-[(1,3-dioxo-2-pyridin-2-ylisoquinolin-4-ylidene)methylamino]propyl-dimethylazanium Traditional Name: 3-[[1,3-diketo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]propyl-dimethyl-ammonium Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

Isomeric SMILES

C[NH+](C)CCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

InChI

InChI=1S/C20H22N4O2/c1-23(2)13-7-11-21-14-17-15-8-3-4-9-16(15)19(25)24(20(17)26)18-10-5-6-12-22-18/h3-6,8-10,12,14,21H,7,11,13H2,1-2H3/p+1