3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoate CAS Name: 3-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]propanoate IUPAC Name: 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]propionate Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CCC(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CCC(=O)[O-]

InChI

InChI=1S/C15H18N2O3/c18-14(19)7-10-17-8-5-11(6-9-17)15-16-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2,(H,18,19)