(2S)-2-methyl-1-methylsulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-2-methyl-1-methylsulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-2-methyl-1-methylsulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]indoline-5-carboxamide CAS Name: (2S)-2-methyl-1-methylsulfonyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-2-methyl-1-methylsulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-mesyl-2-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]indoline-5-carboxamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H26N4O4S/c1-15-11-18-12-17(4-5-19(18)25(15)30(2,27)28)21(26)23-14-16-3-6-20(22-13-16)24-7-9-29-10-8-24/h3-6,12-13,15H,7-11,14H2,1-2H3,(H,23,26)/p+1/t15-/m0/s1