1-(5-chloranyl-1,3-benzoxazol-2-yl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(5-chloranyl-1,3-benzoxazol-2-yl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(5-chloro-1,3-benzoxazol-2-yl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(5-chloro-1,3-benzoxazol-2-yl)-1-methyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(5-chloro-1,3-benzoxazol-2-yl)-1-methylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(5-chloro-1,3-benzoxazol-2-yl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C13H14ClN2O3+ MolecularWeight: 281.71486

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C(=O)O)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C[N+]1(CCCC1C(=O)O)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C13H13ClN2O3/c1-16(6-2-3-10(16)12(17)18)13-15-9-7-8(14)4-5-11(9)19-13/h4-5,7,10H,2-3,6H2,1H3/p+1