2-ethyl-5-fluoranyl-1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]benzimidazole

Systemtic Name: 2-ethyl-5-fluoranyl-1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]benzimidazole Openeye Name: 2-ethyl-5-fluoro-1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]benzimidazole CAS Name: 2-ethyl-5-fluoro-1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]benzimidazole IUPAC Name: 2-ethyl-5-fluoro-1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]benzimidazole Traditional Name: 2-ethyl-5-fluoro-1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]benzimidazole Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC5=C(C(=C4)OC)OCO5)C=CC(=C2)F

Isomeric SMILES

CCC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC5=C(C(=C4)OC)OCO5)C=CC(=C2)F

InChI

InChI=1S/C23H26FN3O3/c1-3-22-25-18-12-16(24)4-5-19(18)27(22)17-6-8-26(9-7-17)13-15-10-20(28-2)23-21(11-15)29-14-30-23/h4-5,10-12,17H,3,6-9,13-14H2,1-2H3/p+1