1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-naphthalen-2-ylsulfonyl-propan-1-one

Systemtic Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-naphthalen-2-ylsulfonyl-propan-1-one Openeye Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-(2-naphthylsulfonyl)propan-1-one CAS Name: 1-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-(2-naphthalenylsulfonyl)-1-propanone IUPAC Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-naphthalen-2-ylsulfonylpropan-1-one Traditional Name: 1-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-3-(2-naphthylsulfonyl)propan-1-one Formula: C24H26FN2O3S+ MolecularWeight: 441.538243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H25FN2O3S/c25-23-8-4-3-7-21(23)18-26-12-14-27(15-13-26)24(28)11-16-31(29,30)22-10-9-19-5-1-2-6-20(19)17-22/h1-10,17H,11-16,18H2/p+1