1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

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