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

Systemtic Name: 3-(4-fluorophenyl)sulfonyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(4-fluorophenyl)sulfonyl-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4-fluorophenyl)sulfonyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C21H26FN2O3S+ MolecularWeight: 405.506143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O3S/c1-17-4-2-3-5-18(17)16-23-11-13-24(14-12-23)21(25)10-15-28(26,27)20-8-6-19(22)7-9-20/h2-9H,10-16H2,1H3/p+1