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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-morpholino-pyridin-1-ium-2-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-(4-morpholinyl)-2-pyridin-1-iumcarboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4-morpholino-pyridin-1-ium-2-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=[NH+]C=CC(=C2)N3CCOCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3)S(=O)(=O)N4CCCC4

InChI

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