1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C15H14N3O4+ MolecularWeight: 300.28936

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C15H13N3O4/c16-15(20)10-2-1-5-18(7-10)8-14(19)17-11-3-4-12-13(6-11)22-9-21-12/h1-7H,8-9H2,(H2-,16,17,19,20)/p+1