2-[[1-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 2-[[1-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[[1-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride CAS Name: 2-[[1-[2-(5-bromo-2-thiophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[[1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[[1-[2-(5-bromo-2-thienyl)-2-keto-ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride Formula: C20H22BrClN2O2S MolecularWeight: 469.82288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4=CC=C(S4)Br.Cl

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4=CC=C(S4)Br.Cl

InChI

InChI=1S/C20H21BrN2O2S.ClH/c21-19-6-5-18(26-19)17(24)13-22-9-7-14(8-10-22)11-23-12-15-3-1-2-4-16(15)20(23)25;/h1-6,14H,7-13H2;1H