methyl-[(2S)-2-oxidanyl-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]azanium Openeye Name: [(2S)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[4-(benzenesulfonyl)-1-piperazinyl]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(4-besylpiperazino)-2-hydroxy-propyl]-methyl-ammonium Formula: C14H24N3O3S+ MolecularWeight: 314.42366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H23N3O3S/c1-15-11-13(18)12-16-7-9-17(10-8-16)21(19,20)14-5-3-2-4-6-14/h2-6,13,15,18H,7-12H2,1H3/p+1/t13-/m0/s1