(2S,5S)-5-ethyl-1-methyl-2-[1-(phenylsulfonyl)indol-2-yl]piperidin-1-ium-4-one

Systemtic Name: (2S,5S)-5-ethyl-1-methyl-2-[1-(phenylsulfonyl)indol-2-yl]piperidin-1-ium-4-one Openeye Name: (2S,5S)-2-[1-(benzenesulfonyl)indol-2-yl]-5-ethyl-1-methyl-piperidin-1-ium-4-one CAS Name: (2S,5S)-2-[1-(benzenesulfonyl)-2-indolyl]-5-ethyl-1-methyl-4-piperidin-1-iumone IUPAC Name: (2S,5S)-2-[1-(benzenesulfonyl)indol-2-yl]-5-ethyl-1-methylpiperidin-1-ium-4-one Traditional Name: (2S,5S)-2-(1-besylindol-2-yl)-5-ethyl-1-methyl-piperidin-1-ium-4-one Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](C(CC1=O)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC[C@H]1C[NH+]([C@@H](CC1=O)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N2O3S/c1-3-16-15-23(2)20(14-22(16)25)21-13-17-9-7-8-12-19(17)24(21)28(26,27)18-10-5-4-6-11-18/h4-13,16,20H,3,14-15H2,1-2H3/p+1/t16-,20-/m0/s1