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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Openeye Name: 1-[(1R)-1-methyl-3-phenyl-propyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Traditional Name: 1-[(1R)-1-methyl-3-phenyl-propyl]-4-tosyl-piperazin-1-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S/c1-18-8-12-21(13-9-18)26(24,25)23-16-14-22(15-17-23)19(2)10-11-20-6-4-3-5-7-20/h3-9,12-13,19H,10-11,14-17H2,1-2H3/p+1/t19-/m1/s1