(3-fluorophenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (3-fluorophenyl)methyl-methyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: (3-fluorobenzyl)-[2-keto-2-(4-tosylpiperazino)ethyl]-methyl-ammonium Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-17-6-8-20(9-7-17)29(27,28)25-12-10-24(11-13-25)21(26)16-23(2)15-18-4-3-5-19(22)14-18/h3-9,14H,10-13,15-16H2,1-2H3/p+1