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

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]propyl-diethyl-azanium Openeye Name: 3-[[1,3-dioxo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]propyl-diethyl-ammonium CAS Name: 3-[[1,3-dioxo-2-(2-pyridinyl)-4-isoquinolinylidene]methylamino]propyl-diethylammonium IUPAC Name: 3-[(1,3-dioxo-2-pyridin-2-ylisoquinolin-4-ylidene)methylamino]propyl-diethylazanium Traditional Name: 3-[[1,3-diketo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]propyl-diethyl-ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-3-25(4-2)15-9-13-23-16-19-17-10-5-6-11-18(17)21(27)26(22(19)28)20-12-7-8-14-24-20/h5-8,10-12,14,16,23H,3-4,9,13,15H2,1-2H3/p+1