2-(3-methyl-1-oxidanylidene-3-piperidin-4-yl-2-thiophen-2-yl-isoindol-4-yl)ethanal hydrochloride

Systemtic Name: 2-(3-methyl-1-oxidanylidene-3-piperidin-4-yl-2-thiophen-2-yl-isoindol-4-yl)ethanal hydrochloride Openeye Name: 2-[3-methyl-1-oxo-3-(4-piperidyl)-2-(2-thienyl)isoindolin-4-yl]acetaldehyde hydrochloride CAS Name: 2-[3-methyl-1-oxo-3-(4-piperidinyl)-2-thiophen-2-yl-4-isoindolyl]acetaldehyde hydrochloride IUPAC Name: 2-(3-methyl-1-oxo-3-piperidin-4-yl-2-thiophen-2-ylisoindol-4-yl)acetaldehyde hydrochloride Traditional Name: 2-[1-keto-3-methyl-3-(4-piperidyl)-2-(2-thienyl)isoindolin-4-yl]acetaldehyde hydrochloride Formula: C20H23ClN2O2S MolecularWeight: 390.92682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CC=O)C(=O)N1C3=CC=CS3)C4CCNCC4.Cl

Isomeric SMILES

CC1(C2=C(C=CC=C2CC=O)C(=O)N1C3=CC=CS3)C4CCNCC4.Cl

InChI

InChI=1S/C20H22N2O2S.ClH/c1-20(15-7-10-21-11-8-15)18-14(9-12-23)4-2-5-16(18)19(24)22(20)17-6-3-13-25-17;/h2-6,12-13,15,21H,7-11H2,1H3;1H