N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-(1-oxidanylideneisoquinolin-2-yl)ethanesulfonamide

Systemtic Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-(1-oxidanylideneisoquinolin-2-yl)ethanesulfonamide Openeye Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-(1-oxo-2-isoquinolyl)ethanesulfonamide CAS Name: N-(1-cyclopropyl-4-piperidin-1-iumyl)-2-(1-oxo-2-isoquinolinyl)ethanesulfonamide IUPAC Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-(1-oxoisoquinolin-2-yl)ethanesulfonamide Traditional Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-(1-keto-2-isoquinolyl)ethanesulfonamide Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+]2CCC(CC2)NS(=O)(=O)CCN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CC1[NH+]2CCC(CC2)NS(=O)(=O)CCN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C19H25N3O3S/c23-19-18-4-2-1-3-15(18)7-10-22(19)13-14-26(24,25)20-16-8-11-21(12-9-16)17-5-6-17/h1-4,7,10,16-17,20H,5-6,8-9,11-14H2/p+1