2-(6-methyl-5-oxidanyl-4-oxidanylidene-3H-pyridin-1-ium-1-yl)-N-[3-[2-[2-(6-methyl-5-oxidanyl-4-oxidanylidene-3H-pyridin-1-ium-1-yl)ethanoylamino]ethylamino]propyl]ethanamide

Systemtic Name: 2-(6-methyl-5-oxidanyl-4-oxidanylidene-3H-pyridin-1-ium-1-yl)-N-[3-[2-[2-(6-methyl-5-oxidanyl-4-oxidanylidene-3H-pyridin-1-ium-1-yl)ethanoylamino]ethylamino]propyl]ethanamide Openeye Name: 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-1-ium-1-yl)-N-[3-[2-[[2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-1-ium-1-yl)acetyl]amino]ethylamino]propyl]acetamide CAS Name: 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-1-ium-1-yl)-N-[3-[2-[[2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-1-ium-1-yl)-1-oxoethyl]amino]ethylamino]propyl]acetamide IUPAC Name: 2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-1-ium-1-yl)-N-[3-[2-[[2-(5-hydroxy-6-methyl-4-oxo-3H-pyridin-1-ium-1-yl)acetyl]amino]ethylamino]propyl]acetamide Traditional Name: 2-(5-hydroxy-4-keto-6-methyl-3H-pyridin-1-ium-1-yl)-N-[3-[2-[[2-(5-hydroxy-4-keto-6-methyl-3H-pyridin-1-ium-1-yl)acetyl]amino]ethylamino]propyl]acetamide Formula: C21H31N5O6+2 MolecularWeight: 449.50074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC=[N+]1CC(=O)NCCCNCCNC(=O)C[N+]2=CCC(=O)C(=C2C)O)O

Isomeric SMILES

CC1=C(C(=O)CC=[N+]1CC(=O)NCCCNCCNC(=O)C[N+]2=CCC(=O)C(=C2C)O)O

InChI

InChI=1S/C21H29N5O6/c1-14-20(31)16(27)4-10-25(14)12-18(29)23-7-3-6-22-8-9-24-19(30)13-26-11-5-17(28)21(32)15(26)2/h10-11,22H,3-9,12-13H2,1-2H3,(H2-2,23,24,29,30,31,32)/p+2