(2R)-1-(1H-indol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c1-17(22(26)20-15-23-21-10-6-5-9-19(20)21)24-11-13-25(14-12-24)29(27,28)16-18-7-3-2-4-8-18/h2-10,15,17,23H,11-14,16H2,1H3/p+1/t17-/m1/s1