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

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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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)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C([NH+]=CC=C2)N3CCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H28N4O4S/c1-30-19-10-9-17(16-20(19)31(28,29)26-14-3-2-4-15-26)24-22(27)18-8-7-11-23-21(18)25-12-5-6-13-25/h7-11,16H,2-6,12-15H2,1H3,(H,24,27)/p+1