1-[4-[3-[1-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethyl ethanoate

Systemtic Name: 1-[4-[3-[1-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethyl ethanoate Openeye Name: 1-[4-[3-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethyl acetate CAS Name: acetic acid 1-[4-[3-[1-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidin-1-iumyl]propoxy]-3-methoxyphenyl]ethyl ester IUPAC Name: 1-[4-[3-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-3-methoxyphenyl]ethyl acetate Traditional Name: acetic acid 1-[4-[3-[1-(6-fluoroindoxazen-3-yl)piperidin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethyl ester Formula: C26H32FN2O5+ MolecularWeight: 471.541083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCCC[N+]2(CCCCC2)C3=NOC4=C3C=CC(=C4)F)OC)OC(=O)C

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCCC[N+]2(CCCCC2)C3=NOC4=C3C=CC(=C4)F)OC)OC(=O)C

InChI

InChI=1S/C26H32FN2O5/c1-18(33-19(2)30)20-8-11-23(25(16-20)31-3)32-15-7-14-29(12-5-4-6-13-29)26-22-10-9-21(27)17-24(22)34-28-26/h8-11,16-18H,4-7,12-15H2,1-3H3/q+1