1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(5-fluoro-2-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(5-fluoro-2-methoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C18H22FN2O3S+ MolecularWeight: 365.442283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21FN2O3S/c1-24-17-8-7-16(19)13-18(17)25(22,23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3/p+1