N-(1,3-benzodioxol-5-yl)-1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H22BrN2O5+ MolecularWeight: 462.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C21H21BrN2O5/c22-16-9-20-18(27-12-29-20)7-14(16)10-24-5-3-13(4-6-24)21(25)23-15-1-2-17-19(8-15)28-11-26-17/h1-2,7-9,13H,3-6,10-12H2,(H,23,25)/p+1