4-(2,4-dimethylphenyl)sulfonyl-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(6-morpholinopyridin-1-ium-3-yl)piperazine-1-carboxamide CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[6-(4-morpholinyl)-3-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(6-morpholinopyridin-1-ium-3-yl)piperazine-1-carboxamide Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=C[NH+]=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=C[NH+]=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C22H29N5O4S/c1-17-3-5-20(18(2)15-17)32(29,30)27-9-7-26(8-10-27)22(28)24-19-4-6-21(23-16-19)25-11-13-31-14-12-25/h3-6,15-16H,7-14H2,1-2H3,(H,24,28)/p+1