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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(3-fluorobenzyl)piperazin-4-ium Formula: C18H21ClFN2O3S+ MolecularWeight: 399.887343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN2O3S/c1-25-17-6-5-15(19)12-18(17)26(23,24)22-9-7-21(8-10-22)13-14-3-2-4-16(20)11-14/h2-6,11-12H,7-10,13H2,1H3/p+1