N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methyl]isonipecotamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCO[C@@H](C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H33N3O4S/c1-17(2)15-23-12-13-28-19(16-23)14-22-21(25)18-8-10-24(11-9-18)29(26,27)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1