1-[(2,3-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-o-veratryl-piperazin-4-ium Formula: C19H24FN2O4S+ MolecularWeight: 395.468263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN2O4S/c1-25-18-5-3-4-15(19(18)26-2)14-21-10-12-22(13-11-21)27(23,24)17-8-6-16(20)7-9-17/h3-9H,10-14H2,1-2H3/p+1