2-[1-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-1,2,3,4-tetrazol-1-ium-1-yl]pentanoic acid

Systemtic Name: 2-[1-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-1,2,3,4-tetrazol-1-ium-1-yl]pentanoic acid Openeye Name: 2-[1-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]tetrazol-1-ium-1-yl]pentanoic acid CAS Name: 2-[1-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-1-tetrazol-1-iumyl]pentanoic acid IUPAC Name: 2-[1-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]tetrazol-1-ium-1-yl]pentanoic acid Traditional Name: 2-[1-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]tetrazol-1-ium-1-yl]valeric acid Formula: C20H29N4O5+ MolecularWeight: 405.46806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC[N+]2(C=NN=N2)C(CCC)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC[N+]2(C=NN=N2)C(CCC)C(=O)O

InChI

InChI=1S/C20H28N4O5/c1-4-7-16-18(10-9-15(14(3)25)19(16)26)29-12-6-11-24(13-21-22-23-24)17(8-5-2)20(27)28/h9-10,13,17H,4-8,11-12H2,1-3H3,(H-,25,26,27,28)/p+1