2-[4-(2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[4-(2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[4-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[4-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[4-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[4-(2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynyl]isoindoline-1,3-quinone hydrochloride Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC2=CC=CC=C21)(CC#CCN3C(=O)C4=CC=CC=C4C3=O)[O-].Cl

Isomeric SMILES

C1C[N+](CC2=CC=CC=C21)(CC#CCN3C(=O)C4=CC=CC=C4C3=O)[O-].Cl

InChI

InChI=1S/C21H18N2O3.ClH/c24-20-18-9-3-4-10-19(18)21(25)22(20)12-5-6-13-23(26)14-11-16-7-1-2-8-17(16)15-23;/h1-4,7-10H,11-15H2;1H