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

Systemtic Name: 2-(piperazin-4-ium-1-ylmethyl)-1,3-benzoxazole Openeye Name: 2-(piperazin-4-ium-1-ylmethyl)-1,3-benzoxazole CAS Name: 2-(1-piperazin-4-iumylmethyl)-1,3-benzoxazole IUPAC Name: 2-(piperazin-4-ium-1-ylmethyl)-1,3-benzoxazole Traditional Name: 2-(piperazin-4-ium-1-ylmethyl)-1,3-benzoxazole Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C12H15N3O/c1-2-4-11-10(3-1)14-12(16-11)9-15-7-5-13-6-8-15/h1-4,13H,5-9H2/p+1