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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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