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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3)F

InChI

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