6-fluoranyl-3-[1-[3-(2-methoxy-4-prop-1-en-2-yl-phenoxy)propyl]piperidin-1-ium-1-yl]-1,2-benzoxazole

Systemtic Name: 6-fluoranyl-3-[1-[3-(2-methoxy-4-prop-1-en-2-yl-phenoxy)propyl]piperidin-1-ium-1-yl]-1,2-benzoxazole Openeye Name: 6-fluoro-3-[1-[3-(4-isopropenyl-2-methoxy-phenoxy)propyl]piperidin-1-ium-1-yl]-1,2-benzoxazole CAS Name: 6-fluoro-3-[1-[3-[2-methoxy-4-(1-methylethenyl)phenoxy]propyl]-1-piperidin-1-iumyl]-1,2-benzoxazole IUPAC Name: 6-fluoro-3-[1-[3-(2-methoxy-4-prop-1-en-2-ylphenoxy)propyl]piperidin-1-ium-1-yl]-1,2-benzoxazole Traditional Name: 6-fluoro-3-[1-[3-(4-isopropenyl-2-methoxy-phenoxy)propyl]piperidin-1-ium-1-yl]indoxazene Formula: C25H30FN2O3+ MolecularWeight: 425.515703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN2O3/c1-18(2)19-8-11-22(24(16-19)29-3)30-15-7-14-28(12-5-4-6-13-28)25-21-10-9-20(26)17-23(21)31-27-25/h8-11,16-17H,1,4-7,12-15H2,2-3H3/q+1