2-(1-isoquinolin-3-ylpiperidin-4-yl)ethyl methanesulfonate

Systemtic Name: 2-(1-isoquinolin-3-ylpiperidin-4-yl)ethyl methanesulfonate Openeye Name: 2-[1-(3-isoquinolyl)-4-piperidyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[1-(3-isoquinolinyl)-4-piperidinyl]ethyl ester IUPAC Name: 2-(1-isoquinolin-3-ylpiperidin-4-yl)ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-(3-isoquinolyl)-4-piperidyl]ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC1CCN(CC1)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CS(=O)(=O)OCCC1CCN(CC1)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C17H22N2O3S/c1-23(20,21)22-11-8-14-6-9-19(10-7-14)17-12-15-4-2-3-5-16(15)13-18-17/h2-5,12-14H,6-11H2,1H3