2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole

Systemtic Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole Openeye Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole CAS Name: 2-(4,4-dimethyl-1-piperazin-4-iumyl)-1,3-benzoxazole IUPAC Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole Traditional Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C13H18N3O/c1-16(2)9-7-15(8-10-16)13-14-11-5-3-4-6-12(11)17-13/h3-6H,7-10H2,1-2H3/q+1