5-oxidanyl-N-[4-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]butyl]pyridin-1-ium-3-carboxamide dichloride

Systemtic Name: 5-oxidanyl-N-[4-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]butyl]pyridin-1-ium-3-carboxamide dichloride Openeye Name: 5-hydroxy-N-[4-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]butyl]pyridin-1-ium-3-carboxamide dichloride CAS Name: 5-hydroxy-N-[4-[[(5-hydroxy-3-pyridin-1-iumyl)-oxomethyl]amino]butyl]-3-pyridin-1-iumcarboxamide dichloride IUPAC Name: 5-hydroxy-N-[4-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]butyl]pyridin-1-ium-3-carboxamide dichloride Traditional Name: 5-hydroxy-N-[4-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]butyl]pyridin-1-ium-3-carboxamide dichloride Formula: C16H20Cl2N4O4 MolecularWeight: 403.2604

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[NH+]C=C1O)C(=O)NCCCCNC(=O)C2=CC(=C[NH+]=C2)O.[Cl-].[Cl-]

Isomeric SMILES

C1=C(C=[NH+]C=C1O)C(=O)NCCCCNC(=O)C2=CC(=C[NH+]=C2)O.[Cl-].[Cl-]

InChI

InChI=1S/C16H18N4O4.2ClH/c21-13-5-11(7-17-9-13)15(23)19-3-1-2-4-20-16(24)12-6-14(22)10-18-8-12;;/h5-10,21-22H,1-4H2,(H,19,23)(H,20,24);2*1H