1-(2,3-dihydroindol-1-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-indolin-1-yl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-indolin-1-yl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-22(25-12-10-20-8-4-5-9-21(20)25)18-23-13-15-24(16-14-23)29(27,28)17-11-19-6-2-1-3-7-19/h1-9,11,17H,10,12-16,18H2/p+1/b17-11+