1-[3-methoxy-4-[(2S)-2-oxidanyl-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[(2S)-2-oxidanyl-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-[4-(1-piperidylsulfonyl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-[4-(1-piperidinylsulfonyl)-1-piperazin-1-iumyl]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(4-piperidinosulfonylpiperazin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone Formula: C21H34N3O6S+ MolecularWeight: 456.57616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCC3)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCC3)O)OC

InChI

InChI=1S/C21H33N3O6S/c1-17(25)18-6-7-20(21(14-18)29-2)30-16-19(26)15-22-10-12-24(13-11-22)31(27,28)23-8-4-3-5-9-23/h6-7,14,19,26H,3-5,8-13,15-16H2,1-2H3/p+1/t19-/m0/s1