N-(4-ethoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-ethoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-ethoxy-3-morpholinosulfonyl-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[4-ethoxy-3-(4-morpholinylsulfonyl)phenyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-ethoxy-3-morpholinosulfonyl-phenyl)-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C([NH+]=CC=C2)N3CCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C([NH+]=CC=C2)N3CCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H28N4O5S/c1-2-31-19-8-7-17(16-20(19)32(28,29)26-12-14-30-15-13-26)24-22(27)18-6-5-9-23-21(18)25-10-3-4-11-25/h5-9,16H,2-4,10-15H2,1H3,(H,24,27)/p+1