2-azanyl-7-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)amino]-1H-imidazo[4,5-b]pyridin-4-ium-4-yl]heptanoic acid

Systemtic Name: 2-azanyl-7-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)amino]-1H-imidazo[4,5-b]pyridin-4-ium-4-yl]heptanoic acid Openeye Name: 2-amino-7-[2-[(4-amino-5-hydroxy-5-oxo-pentyl)amino]-1H-imidazo[4,5-b]pyridin-4-ium-4-yl]heptanoic acid CAS Name: 2-amino-7-[2-[(4-amino-5-hydroxy-5-oxopentyl)amino]-1H-imidazo[4,5-b]pyridin-4-ium-4-yl]heptanoic acid IUPAC Name: 2-amino-7-[2-[(4-amino-5-hydroxy-5-oxopentyl)amino]-1H-imidazo[4,5-b]pyridin-4-ium-4-yl]heptanoic acid Traditional Name: 2-amino-7-[2-[(4-amino-5-hydroxy-5-keto-pentyl)amino]-1H-imidazo[4,5-b]pyridin-4-ium-4-yl]enanthic acid Formula: C18H29N6O4+ MolecularWeight: 393.46066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C(N2)NCCCC(C(=O)O)N)[N+](=C1)CCCCCC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(N=C(N2)NCCCC(C(=O)O)N)[N+](=C1)CCCCCC(C(=O)O)N

InChI

InChI=1S/C18H28N6O4/c19-12(16(25)26)6-2-1-3-10-24-11-5-8-14-15(24)23-18(22-14)21-9-4-7-13(20)17(27)28/h5,8,11-13H,1-4,6-7,9-10,19-20H2,(H3,21,22,25,26,27,28)/p+1