1-methylsulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium

Systemtic Name: 1-methylsulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Openeye Name: 1-[(1R)-1-methyl-3-phenyl-propyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-methylsulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium IUPAC Name: 1-methylsulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Traditional Name: 1-mesyl-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium Formula: C15H25N2O2S+ MolecularWeight: 297.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H24N2O2S/c1-14(8-9-15-6-4-3-5-7-15)16-10-12-17(13-11-16)20(2,18)19/h3-7,14H,8-13H2,1-2H3/p+1/t14-/m1/s1