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

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(1H-indol-3-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(1H-indol-3-yl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-18(23(27)21-17-24-22-10-6-5-9-20(21)22)25-12-14-26(15-13-25)30(28,29)16-11-19-7-3-2-4-8-19/h2-11,16-18,24H,12-15H2,1H3/p+1/b16-11+/t18-/m1/s1