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

Systemtic Name: 4-[3-[1-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-3-methoxy-benzamide Openeye Name: 4-[3-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-3-methoxy-benzamide CAS Name: 4-[3-[1-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidin-1-iumyl]propoxy]-3-methoxybenzamide IUPAC Name: 4-[3-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-ium-1-yl]propoxy]-3-methoxybenzamide Traditional Name: 4-[3-[1-(6-fluoroindoxazen-3-yl)piperidin-1-ium-1-yl]propoxy]-3-methoxy-benzamide Formula: C23H27FN3O4+ MolecularWeight: 428.476583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N)OCCC[N+]2(CCCCC2)C3=NOC4=C3C=CC(=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N)OCCC[N+]2(CCCCC2)C3=NOC4=C3C=CC(=C4)F

InChI

InChI=1S/C23H26FN3O4/c1-29-21-14-16(22(25)28)6-9-19(21)30-13-5-12-27(10-3-2-4-11-27)23-18-8-7-17(24)15-20(18)31-26-23/h6-9,14-15H,2-5,10-13H2,1H3,(H-,25,28)/p+1