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

Systemtic Name: 2-azanyl-6-[3-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)pyridin-1-ium-1-yl]-5-oxidanyl-hexanoic acid Openeye Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxo-butyl)-4-(2-amino-3-hydroxy-3-oxo-propyl)pyridin-1-ium-1-yl]-5-hydroxy-hexanoic acid CAS Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxobutyl)-4-(2-amino-3-hydroxy-3-oxopropyl)-1-pyridin-1-iumyl]-5-hydroxyhexanoic acid IUPAC Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-oxobutyl)-4-(2-amino-3-hydroxy-3-oxopropyl)pyridin-1-ium-1-yl]-5-hydroxyhexanoic acid Traditional Name: 2-amino-6-[3-(3-amino-4-hydroxy-4-keto-butyl)-4-(2-amino-3-hydroxy-3-keto-propyl)pyridin-1-ium-1-yl]-5-hydroxy-hexanoic acid Formula: C18H29N4O7+ MolecularWeight: 413.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC(=C1CC(C(=O)O)N)CCC(C(=O)O)N)CC(CCC(C(=O)O)N)O

Isomeric SMILES

C1=C[N+](=CC(=C1CC(C(=O)O)N)CCC(C(=O)O)N)CC(CCC(C(=O)O)N)O

InChI

InChI=1S/C18H28N4O7/c19-13(16(24)25)3-1-11-8-22(6-5-10(11)7-15(21)18(28)29)9-12(23)2-4-14(20)17(26)27/h5-6,8,12-15,23H,1-4,7,9,19-21H2,(H2-,24,25,26,27,28,29)/p+1