6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid

Systemtic Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid Openeye Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid CAS Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid IUPAC Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid Traditional Name: 6-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid Formula: C15H20NO3+ MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=[N+]2CCCCCC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=[N+]2CCCCCC(=O)O)C

InChI

InChI=1S/C15H19NO3/c1-11-7-8-14-13(10-11)16(12(2)19-14)9-5-3-4-6-15(17)18/h7-8,10H,3-6,9H2,1-2H3/p+1