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

Systemtic Name: 1-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C16H21BrN3O4+ MolecularWeight: 399.25964

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H20BrN3O4/c17-11-7-13-14(24-6-5-23-13)8-12(11)19-15(21)9-20-3-1-10(2-4-20)16(18)22/h7-8,10H,1-6,9H2,(H2,18,22)(H,19,21)/p+1