tert-butyl 1-(isoquinolin-5-ylsulfonylamino)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(isoquinolin-5-ylsulfonylamino)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(5-isoquinolylsulfonylamino)piperidin-1-ium-1-carboxylate CAS Name: 1-(5-isoquinolinylsulfonylamino)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(isoquinolin-5-ylsulfonylamino)piperidin-1-ium-1-carboxylate Traditional Name: 1-(5-isoquinolylsulfonylamino)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H26N3O4S/c1-19(2,3)26-18(23)22(12-5-4-6-13-22)21-27(24,25)17-9-7-8-15-14-20-11-10-16(15)17/h7-11,14,21H,4-6,12-13H2,1-3H3/q+1