(2R)-2-(azocan-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(azocan-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-2-(azocan-1-ium-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]propan-1-one CAS Name: (2R)-2-(1-azocan-1-iumyl)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(azocan-1-ium-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]propan-1-one Traditional Name: (2R)-2-(azocan-1-ium-1-yl)-1-(4-besylpiperazino)propan-1-one Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCCCCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-18(21-12-8-3-2-4-9-13-21)20(24)22-14-16-23(17-15-22)27(25,26)19-10-6-5-7-11-19/h5-7,10-11,18H,2-4,8-9,12-17H2,1H3/p+1/t18-/m1/s1