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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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