(2S)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-2-methyl-1-methylsulfonyl-N-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]indoline-5-carboxamide CAS Name: (2S)-2-methyl-N-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-mesyl-2-methyl-N-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]indoline-5-carboxamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC(=C4)C

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC(=C4)C

InChI

InChI=1S/C24H31N3O3S/c1-17-5-4-6-19(13-17)16-26-11-9-22(10-12-26)25-24(28)20-7-8-23-21(15-20)14-18(2)27(23)31(3,29)30/h4-8,13,15,18,22H,9-12,14,16H2,1-3H3,(H,25,28)/p+1/t18-/m0/s1