2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole

Systemtic Name: 2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[[(2S)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1C[C@H](OC1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C16H21N3O2/c1-2-6-15-14(5-1)17-16(21-15)19-9-7-18(8-10-19)12-13-4-3-11-20-13/h1-2,5-6,13H,3-4,7-12H2/p+1/t13-/m0/s1