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

Systemtic Name: (2R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-benzyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-17(21(26)23(2)16-18-7-4-3-5-8-18)24-11-13-25(14-12-24)29(27,28)20-10-6-9-19(22)15-20/h3-10,15,17H,11-14,16H2,1-2H3/p+1/t17-/m1/s1