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

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C14H18BrN2O3+ MolecularWeight: 342.20832

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C14H17BrN2O3/c15-11-6-13-12(19-8-20-13)5-10(11)7-17-3-1-9(2-4-17)14(16)18/h5-6,9H,1-4,7-8H2,(H2,16,18)/p+1