(2S)-2-methyl-1-methylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-2-methyl-1-methylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-2-methyl-1-methylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)indoline-5-carboxamide CAS Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-2-methyl-1-methylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-mesyl-2-methyl-N-(2-morpholin-4-ium-4-ylethyl)indoline-5-carboxamide Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H25N3O4S/c1-13-11-15-12-14(3-4-16(15)20(13)25(2,22)23)17(21)18-5-6-19-7-9-24-10-8-19/h3-4,12-13H,5-11H2,1-2H3,(H,18,21)/p+1/t13-/m0/s1