1-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazin-4-ium

Systemtic Name: 1-(3-fluoranyl-4-methoxy-phenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazin-4-ium Openeye Name: 1-(3-fluoro-4-methoxy-phenyl)sulfonyl-4-[2-(2-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[2-(2-pyridinyl)ethyl]piperazin-4-ium IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazin-4-ium Traditional Name: 1-(3-fluoro-4-methoxy-phenyl)sulfonyl-4-[2-(2-pyridyl)ethyl]piperazin-4-ium Formula: C18H23FN3O3S+ MolecularWeight: 380.456923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3)F

InChI

InChI=1S/C18H22FN3O3S/c1-25-18-6-5-16(14-17(18)19)26(23,24)22-12-10-21(11-13-22)9-7-15-4-2-3-8-20-15/h2-6,8,14H,7,9-13H2,1H3/p+1