6-[(2S,6S)-2,6-dimethylpiperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-[(2S,6S)-2,6-dimethylpiperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Openeye Name: 6-[(2S,6S)-2,6-dimethylpiperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one CAS Name: 6-[(2S,6S)-2,6-dimethyl-1-piperazin-4-iumyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[(2S,6S)-2,6-dimethylpiperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Traditional Name: 6-[(2S,6S)-2,6-dimethylpiperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CC(N1C2=CC3=C(C=C2)NC(=O)O3)C

Isomeric SMILES

C[C@H]1C[NH2+]C[C@@H](N1C2=CC3=C(C=C2)NC(=O)O3)C

InChI

InChI=1S/C13H17N3O2/c1-8-6-14-7-9(2)16(8)10-3-4-11-12(5-10)18-13(17)15-11/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,17)/p+1/t8-,9-/m0/s1