1-[(3-fluorophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(4-isopropylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-fluorophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-fluorobenzyl)-4-p-cumenylsulfonyl-piperazin-1-ium Formula: C20H26FN2O2S+ MolecularWeight: 377.496043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H25FN2O2S/c1-16(2)18-6-8-20(9-7-18)26(24,25)23-12-10-22(11-13-23)15-17-4-3-5-19(21)14-17/h3-9,14,16H,10-13,15H2,1-2H3/p+1