1-[(3S)-1-methylsulfonylpiperidin-3-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[(3S)-1-methylsulfonylpiperidin-3-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(3S)-1-methylsulfonyl-3-piperidyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(3S)-1-methylsulfonyl-3-piperidinyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(3S)-1-methylsulfonylpiperidin-3-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(3S)-1-mesyl-3-piperidyl]-4-phenyl-piperazin-1-ium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H25N3O2S/c1-22(20,21)19-9-5-8-16(14-19)18-12-10-17(11-13-18)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/p+1/t16-/m0/s1