(2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c1-16-21(19-10-6-7-11-20(19)23-16)22(26)17(2)24-12-14-25(15-13-24)29(27,28)18-8-4-3-5-9-18/h3-11,17,23H,12-15H2,1-2H3/p+1/t17-/m0/s1