1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-benzyl-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-benzyl-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H20N2O4.BrH/c26-20(19-6-7-21-22(14-19)29-13-12-28-21)16-25-10-8-18(9-11-25)23(27)24-15-17-4-2-1-3-5-17;/h1-11,14H,12-13,15-16H2;1H