N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methyl-acetamide CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-fluorobenzyl)-N-methyl-acetamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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