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

Systemtic Name: 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-[[(2R,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-[(2R,6S)-2,6-dimethylmorpholino]sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C25H34N3O4S+ MolecularWeight: 472.62016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C25H33N3O4S/c1-19-17-28(18-20(2)32-19)33(30,31)23-12-8-11-22(15-23)25(29)26-16-24(27-13-6-7-14-27)21-9-4-3-5-10-21/h3-5,8-12,15,19-20,24H,6-7,13-14,16-18H2,1-2H3,(H,26,29)/p+1/t19-,20+,24-/m0/s1