(2-fluorophenyl)methyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-fluorophenyl)methyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: (2-fluorophenyl)methyl-methyl-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: (2-fluorophenyl)methyl-methyl-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: (2-fluorophenyl)methyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: (2-fluorobenzyl)-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-methyl-ammonium Formula: C24H27FN3O3S+ MolecularWeight: 456.552883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1F)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1F)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26FN3O3S/c1-26(17-21-8-4-5-9-23(21)25)18-24(29)27-12-14-28(15-13-27)32(30,31)22-11-10-19-6-2-3-7-20(19)16-22/h2-11,16H,12-15,17-18H2,1H3/p+1