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

Systemtic Name: 2-azanyl-6-[3-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-4-(2-azanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-oxidanyl-pyridin-1-ium-1-yl]hexanoic acid hydrochloride Openeye Name: 2-amino-6-[4-(1-amino-2-hydroxy-1-methyl-2-oxo-ethyl)-3-(3-amino-4-hydroxy-4-oxo-butyl)-5-hydroxy-pyridin-1-ium-1-yl]hexanoic acid hydrochloride CAS Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxobutyl)-4-(2-amino-1-hydroxy-1-oxopropan-2-yl)-5-hydroxy-1-pyridin-1-iumyl]hexanoic acid hydrochloride IUPAC Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxobutyl)-4-(2-amino-1-hydroxy-1-oxopropan-2-yl)-5-hydroxypyridin-1-ium-1-yl]hexanoic acid hydrochloride Traditional Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-keto-butyl)-4-(1-amino-2-hydroxy-2-keto-1-methyl-ethyl)-5-hydroxy-pyridin-1-ium-1-yl]hexanoic acid hydrochloride Formula: C18H30ClN4O7+ MolecularWeight: 449.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=[N+](C=C1CCC(C(=O)O)N)CCCCC(C(=O)O)N)O)(C(=O)O)N.Cl

Isomeric SMILES

CC(C1=C(C=[N+](C=C1CCC(C(=O)O)N)CCCCC(C(=O)O)N)O)(C(=O)O)N.Cl

InChI

InChI=1S/C18H28N4O7.ClH/c1-18(21,17(28)29)14-10(5-6-12(20)16(26)27)8-22(9-13(14)23)7-3-2-4-11(19)15(24)25;/h8-9,11-12H,2-7,19-21H2,1H3,(H3-,23,24,25,26,27,28,29);1H/p+1