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

Systemtic Name: (2S)-2-methyl-1-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-2-methyl-1-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]indoline-5-carboxamide CAS Name: (2S)-2-methyl-1-methylsulfonyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-2-methyl-1-methylsulfonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-mesyl-2-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]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)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H31N3O3S/c1-18-14-22-15-21(10-11-23(22)27(18)31(2,29)30)24(28)25-16-19-6-8-20(9-7-19)17-26-12-4-3-5-13-26/h6-11,15,18H,3-5,12-14,16-17H2,1-2H3,(H,25,28)/p+1/t18-/m0/s1