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

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H16N3O4+ MolecularWeight: 314.31594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4/c17-16(21)11-2-1-5-19(9-11)10-15(20)18-12-3-4-13-14(8-12)23-7-6-22-13/h1-5,8-9H,6-7,10H2,(H2-,17,18,20,21)/p+1