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

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H15N2O4+ MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C16H14N2O4/c17-16(20)12-2-1-5-18(9-12)10-13(19)11-3-4-14-15(8-11)22-7-6-21-14/h1-5,8-9H,6-7,10H2,(H-,17,20)/p+1