1-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 1-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylindolin-1-yl]ethanone CAS Name: 1-[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylindolin-1-yl]ethanone Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S/c1-17(25)24-10-9-19-15-20(7-8-21(19)24)28(26,27)23-13-11-22(12-14-23)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3/p+1