1-azanyl-N-[3-[(1-azanylpyridin-1-ium-3-yl)carbonylamino]propyl]pyridin-1-ium-3-carboxamide sulfate

Systemtic Name: 1-azanyl-N-[3-[(1-azanylpyridin-1-ium-3-yl)carbonylamino]propyl]pyridin-1-ium-3-carboxamide sulfate Openeye Name: 1-amino-N-[3-[(1-aminopyridin-1-ium-3-carbonyl)amino]propyl]pyridin-1-ium-3-carboxamide sulfate CAS Name: 1-amino-N-[3-[[(1-amino-3-pyridin-1-iumyl)-oxomethyl]amino]propyl]-3-pyridin-1-iumcarboxamide sulfate IUPAC Name: 1-amino-N-[3-[(1-aminopyridin-1-ium-3-carbonyl)amino]propyl]pyridin-1-ium-3-carboxamide sulfate Traditional Name: 1-amino-N-[3-[(1-aminopyridin-1-ium-3-carbonyl)amino]propyl]pyridin-1-ium-3-carboxamide sulfate Formula: C15H20N6O6S MolecularWeight: 412.4209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)N)C(=O)NCCCNC(=O)C2=C[N+](=CC=C2)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)N)C(=O)NCCCNC(=O)C2=C[N+](=CC=C2)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H18N6O2.H2O4S/c16-20-8-1-4-12(10-20)14(22)18-6-3-7-19-15(23)13-5-2-9-21(17)11-13;1-5(2,3)4/h1-2,4-5,8-11H,3,6-7,16-17H2;(H2,1,2,3,4)