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

Systemtic Name: (3-fluorophenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-23(15-19-8-5-9-20(22)14-19)16-21(26)24-10-12-25(13-11-24)29(27,28)17-18-6-3-2-4-7-18/h2-9,14H,10-13,15-17H2,1H3/p+1