2-(6-pyrrolidin-1-ylhex-4-ynyl)isoindole-1,3-dione hydrochloride

Systemtic Name: 2-(6-pyrrolidin-1-ylhex-4-ynyl)isoindole-1,3-dione hydrochloride Openeye Name: 2-(6-pyrrolidin-1-ylhex-4-ynyl)isoindoline-1,3-dione hydrochloride CAS Name: 2-[6-(1-pyrrolidinyl)hex-4-ynyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-(6-pyrrolidin-1-ylhex-4-ynyl)isoindole-1,3-dione hydrochloride Traditional Name: 2-(6-pyrrolidinohex-4-ynyl)isoindoline-1,3-quinone hydrochloride Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCCCN2C(=O)C3=CC=CC=C3C2=O.Cl

Isomeric SMILES

C1CCN(C1)CC#CCCCN2C(=O)C3=CC=CC=C3C2=O.Cl

InChI

InChI=1S/C18H20N2O2.ClH/c21-17-15-9-3-4-10-16(15)18(22)20(17)14-6-2-1-5-11-19-12-7-8-13-19;/h3-4,9-10H,2,6-8,11-14H2;1H