2-(piperidin-1-ium-4-ylmethyl)-1,3-benzoxazole

Systemtic Name: 2-(piperidin-1-ium-4-ylmethyl)-1,3-benzoxazole Openeye Name: 2-(piperidin-1-ium-4-ylmethyl)-1,3-benzoxazole CAS Name: 2-(4-piperidin-1-iumylmethyl)-1,3-benzoxazole IUPAC Name: 2-(piperidin-1-ium-4-ylmethyl)-1,3-benzoxazole Traditional Name: 2-(piperidin-1-ium-4-ylmethyl)-1,3-benzoxazole Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1C[NH2+]CCC1CC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C13H16N2O/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2/p+1