4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[[(2R,6R)-2,6-dimethyl-4-morpholinyl]sulfonyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[(2R,6R)-2,6-dimethylmorpholino]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C20H31N3O4S/c1-16-14-23(15-17(2)27-16)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-11-3-4-12-22/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,21,24)/p+1/t16-,17-/m1/s1