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

Systemtic Name: N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C([NH+]=CC=C2)N3CCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C([NH+]=CC=C2)N3CCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O5S/c1-29-18-7-6-16(15-19(18)31(27,28)25-11-13-30-14-12-25)23-21(26)17-5-4-8-22-20(17)24-9-2-3-10-24/h4-8,15H,2-3,9-14H2,1H3,(H,23,26)/p+1