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

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

Systemtic Name:6-(2-methyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid
Openeye Name:6-(2-methyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid
CAS Name:6-(2-methyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid
IUPAC Name:6-(2-methyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid
Traditional Name:6-(2-methyl-1,3-benzoxazol-3-ium-3-yl)hexanoic acid
Formula: C14H18NO3+
MolecularWeight: 248.29762
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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2O1)CCCCCC(=O)O


Isomeric SMILES

CC1=[N+](C2=CC=CC=C2O1)CCCCCC(=O)O


InChI

InChI=1S/C14H17NO3/c1-11-15(10-6-2-3-9-14(16)17)12-7-4-5-8-13(12)18-11/h4-5,7-8H,2-3,6,9-10H2,1H3/p+1


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