3-[1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C20H21BrN3O3+ MolecularWeight: 431.30304

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C20H20BrN3O3/c21-15-10-19-18(26-12-27-19)9-13(15)11-23-7-5-14(6-8-23)24-17-4-2-1-3-16(17)22-20(24)25/h1-4,9-10,14H,5-8,11-12H2,(H,22,25)/p+1