3-[1-[1-(4-fluoranylphenoxy)butyl]piperidin-4-yl]-3-(methylamino)-2H-1,3-benzothiazol-3-ium-2-ol

Systemtic Name: 3-[1-[1-(4-fluoranylphenoxy)butyl]piperidin-4-yl]-3-(methylamino)-2H-1,3-benzothiazol-3-ium-2-ol Openeye Name: 3-[1-[1-(4-fluorophenoxy)butyl]-4-piperidyl]-3-(methylamino)-2H-1,3-benzothiazol-3-ium-2-ol CAS Name: 3-[1-[1-(4-fluorophenoxy)butyl]-4-piperidinyl]-3-(methylamino)-2H-1,3-benzothiazol-3-ium-2-ol IUPAC Name: 3-[1-[1-(4-fluorophenoxy)butyl]piperidin-4-yl]-3-(methylamino)-2H-1,3-benzothiazol-3-ium-2-ol Traditional Name: 3-[1-[1-(4-fluorophenoxy)butyl]-4-piperidyl]-3-(methylamino)-2H-1,3-benzothiazol-3-ium-2-ol Formula: C23H31FN3O2S+ MolecularWeight: 432.574543

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1CCC(CC1)[N+]2(C(SC3=CC=CC=C32)O)NC)OC4=CC=C(C=C4)F

Isomeric SMILES

CCCC(N1CCC(CC1)[N+]2(C(SC3=CC=CC=C32)O)NC)OC4=CC=C(C=C4)F

InChI

InChI=1S/C23H31FN3O2S/c1-3-6-22(29-19-11-9-17(24)10-12-19)26-15-13-18(14-16-26)27(25-2)20-7-4-5-8-21(20)30-23(27)28/h4-5,7-12,18,22-23,25,28H,3,6,13-16H2,1-2H3/q+1