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

Systemtic Name: 4-morpholin-4-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide Openeye Name: 4-morpholino-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide CAS Name: 4-(4-morpholinyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-pyridin-1-iumcarboxamide IUPAC Name: 4-morpholin-4-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridin-1-ium-2-carboxamide Traditional Name: 4-morpholino-N-(4-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=C(C=C2)NC(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

Isomeric SMILES

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

InChI

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