1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C15H20BrN2O3+ MolecularWeight: 356.2349

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C15H19BrN2O3/c16-12-8-14-13(20-5-6-21-14)7-11(12)9-18-3-1-10(2-4-18)15(17)19/h7-8,10H,1-6,9H2,(H2,17,19)/p+1