1-[3-(4-fluoranylphenoxy)propylsulfonyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[3-(4-fluoranylphenoxy)propylsulfonyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C18H23FN3O3S+ MolecularWeight: 380.456923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCOC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3O3S/c19-16-5-7-17(8-6-16)25-14-3-15-26(23,24)22-12-10-21(11-13-22)18-4-1-2-9-20-18/h1-2,4-9H,3,10-15H2/p+1