4-fluoranyl-N,N-dimethyl-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-fluoranyl-N,N-dimethyl-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-fluoro-N,N-dimethyl-3-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 4-fluoro-N,N-dimethyl-3-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-fluoro-N,N-dimethyl-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-fluoro-N,N-dimethyl-3-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-16-5-4-6-17(13-16)15-24-9-11-25(12-10-24)21(26)19-14-18(7-8-20(19)22)29(27,28)23(2)3/h4-8,13-14H,9-12,15H2,1-3H3/p+1