1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2S)-2-methylindolin-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2S)-2-methylindolin-1-yl]ethanone Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-18-15-20-9-5-6-10-21(20)25(18)22(26)16-23-11-13-24(14-12-23)29(27,28)17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3/p+1/t18-/m0/s1