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

Systemtic Name: 1-[(2R)-4-phenylbutan-2-yl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Traditional Name: 1-besyl-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-18(12-13-19-8-4-2-5-9-19)21-14-16-22(17-15-21)25(23,24)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3/p+1/t18-/m1/s1