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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CC=O)C(=O)N1C3=CC=C(S3)Br)C4CCNCC4.Cl

Isomeric SMILES

CC1(C2=C(C=CC=C2CC=O)C(=O)N1C3=CC=C(S3)Br)C4CCNCC4.Cl

InChI

InChI=1S/C20H21BrN2O2S.ClH/c1-20(14-7-10-22-11-8-14)18-13(9-12-24)3-2-4-15(18)19(25)23(20)17-6-5-16(21)26-17;/h2-6,12,14,22H,7-11H2,1H3;1H