1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C20H26FN2O4S+ MolecularWeight: 409.494843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H25FN2O4S/c1-15-4-6-19(27-3)20(12-15)28(24,25)23-10-8-22(9-11-23)14-16-5-7-18(26-2)17(21)13-16/h4-7,12-13H,8-11,14H2,1-3H3/p+1