1-(2,5-dimethylphenyl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]cyclopentane-1-carboxamide

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]cyclopentane-1-carboxamide Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]cyclopentanecarboxamide CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-cyclopentanecarboxamide IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]cyclopentane-1-carboxamide Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]cyclopentanecarboxamide Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C24H31N3O4S/c1-18-5-6-19(2)21(15-18)32(29,30)24(9-3-4-10-24)23(28)26-17-20-7-8-22(25-16-20)27-11-13-31-14-12-27/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,26,28)/p+1