2-azanyl-6-[3-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-pyridin-1-ium-1-yl]hexanoic acid chloride

Systemtic Name: 2-azanyl-6-[3-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-pyridin-1-ium-1-yl]hexanoic acid chloride Openeye Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxo-butyl)-4-(2-amino-3-hydroxy-3-oxo-propyl)-5-hydroxy-pyridin-1-ium-1-yl]hexanoic acid chloride CAS Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxobutyl)-4-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxy-1-pyridin-1-iumyl]hexanoic acid chloride IUPAC Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxobutyl)-4-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxypyridin-1-ium-1-yl]hexanoic acid chloride Traditional Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-keto-butyl)-4-(2-amino-3-hydroxy-3-keto-propyl)-5-hydroxy-pyridin-1-ium-1-yl]hexanoic acid chloride Formula: C18H29ClN4O7 MolecularWeight: 448.89846

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)O)CC(C(=O)O)N)CCC(C(=O)O)N.[Cl-]

Isomeric SMILES

C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)O)CC(C(=O)O)N)CCC(C(=O)O)N.[Cl-]

InChI

InChI=1S/C18H28N4O7.ClH/c19-12(16(24)25)3-1-2-6-22-8-10(4-5-13(20)17(26)27)11(15(23)9-22)7-14(21)18(28)29;/h8-9,12-14H,1-7,19-21H2,(H3-,23,24,25,26,27,28,29);1H