6-ethoxy-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride

Systemtic Name: 6-ethoxy-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Openeye Name: 6-ethoxy-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride CAS Name: 6-ethoxy-2-(4-piperidinylmethyl)-3H-isoindol-1-one hydrochloride IUPAC Name: 6-ethoxy-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Traditional Name: 6-ethoxy-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride Formula: C16H23ClN2O2 MolecularWeight: 310.81902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(CN(C2=O)CC3CCNCC3)C=C1.Cl

Isomeric SMILES

CCOC1=CC2=C(CN(C2=O)CC3CCNCC3)C=C1.Cl

InChI

InChI=1S/C16H22N2O2.ClH/c1-2-20-14-4-3-13-11-18(16(19)15(13)9-14)10-12-5-7-17-8-6-12;/h3-4,9,12,17H,2,5-8,10-11H2,1H3;1H