2-azanyl-6-[3-(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)-5-methyl-imidazol-3-ium-1-yl]hexanoic acid

Systemtic Name: 2-azanyl-6-[3-(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)-5-methyl-imidazol-3-ium-1-yl]hexanoic acid Openeye Name: 2-amino-6-[3-(5-amino-6-hydroxy-6-oxo-hexyl)-5-methyl-imidazol-3-ium-1-yl]hexanoic acid CAS Name: 2-amino-6-[3-(5-amino-6-hydroxy-6-oxohexyl)-5-methyl-1-imidazol-3-iumyl]hexanoic acid IUPAC Name: 2-amino-6-[3-(5-amino-6-hydroxy-6-oxohexyl)-5-methylimidazol-3-ium-1-yl]hexanoic acid Traditional Name: 2-amino-6-[3-(5-amino-6-hydroxy-6-keto-hexyl)-5-methyl-imidazol-3-ium-1-yl]hexanoic acid Formula: C16H29N4O4+ MolecularWeight: 341.42586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CN1CCCCC(C(=O)O)N)CCCCC(C(=O)O)N

Isomeric SMILES

CC1=C[N+](=CN1CCCCC(C(=O)O)N)CCCCC(C(=O)O)N

InChI

InChI=1S/C16H28N4O4/c1-12-10-19(8-4-2-6-13(17)15(21)22)11-20(12)9-5-3-7-14(18)16(23)24/h10-11,13-14H,2-9,17-18H2,1H3,(H-,21,22,23,24)/p+1