4-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-chloro-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-morpholinosulfonyl-benzamide Formula: C21H26ClN4O5S+ MolecularWeight: 481.97294

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25ClN4O5S/c22-18-3-2-17(13-19(18)32(28,29)26-7-11-31-12-8-26)21(27)24-15-16-1-4-20(23-14-16)25-5-9-30-10-6-25/h1-4,13-14H,5-12,15H2,(H,24,27)/p+1