1-[(4-aminocarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-carboxamide; methanesulfonate

Systemtic Name: 1-[(4-aminocarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-carboxamide; methanesulfonate Openeye Name: 1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-carboxamide; methanesulfonate CAS Name: 1-[(4-carbamoyl-1-pyridin-1-iumyl)methoxymethyl]-4-pyridin-1-iumcarboxamide; methanesulfonate IUPAC Name: 1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-carboxamide; methanesulfonate Traditional Name: 1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-carboxamide dimesylate Formula: C16H22N4O9S2 MolecularWeight: 478.49728

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=C[N+](=CC=C1C(=O)N)COC[N+]2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=C[N+](=CC=C1C(=O)N)COC[N+]2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C14H14N4O3.2CH4O3S/c15-13(19)11-1-5-17(6-2-11)9-21-10-18-7-3-12(4-8-18)14(16)20;2*1-5(2,3)4/h1-8H,9-10H2,(H2-2,15,16,19,20);2*1H3,(H,2,3,4)