1-[(3-aminocarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-carboxamide dichloride

Systemtic Name: 1-[(3-aminocarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-carboxamide dichloride Openeye Name: 1-[(3-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-carboxamide dichloride CAS Name: 1-[(3-carbamoyl-1-pyridin-1-iumyl)methoxymethyl]-3-pyridin-1-iumcarboxamide dichloride IUPAC Name: 1-[(3-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-carboxamide dichloride Traditional Name: 1-[(3-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-carboxamide dichloride Formula: C14H16Cl2N4O3 MolecularWeight: 359.20784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)COC[N+]2=CC=CC(=C2)C(=O)N)C(=O)N.[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)COC[N+]2=CC=CC(=C2)C(=O)N)C(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C14H14N4O3.2ClH/c15-13(19)11-3-1-5-17(7-11)9-21-10-18-6-2-4-12(8-18)14(16)20;;/h1-8H,9-10H2,(H2-2,15,16,19,20);2*1H