4-morpholin-4-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide

Systemtic Name: 4-morpholin-4-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide Openeye Name: 4-morpholino-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide CAS Name: 4-(4-morpholinyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-pyridin-1-iumcarboxamide IUPAC Name: 4-morpholin-4-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide Traditional Name: 4-morpholino-N-(3-pyrrolidinosulfonylphenyl)pyridin-1-ium-2-carboxamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

InChI

InChI=1S/C20H24N4O4S/c25-20(19-15-17(6-7-21-19)23-10-12-28-13-11-23)22-16-4-3-5-18(14-16)29(26,27)24-8-1-2-9-24/h3-7,14-15H,1-2,8-13H2,(H,22,25)/p+1