3-ethyl-5-piperazin-4-ium-1-yl-1,3-benzoxazol-2-one

Systemtic Name: 3-ethyl-5-piperazin-4-ium-1-yl-1,3-benzoxazol-2-one Openeye Name: 3-ethyl-5-piperazin-4-ium-1-yl-1,3-benzoxazol-2-one CAS Name: 3-ethyl-5-(1-piperazin-4-iumyl)-1,3-benzoxazol-2-one IUPAC Name: 3-ethyl-5-piperazin-4-ium-1-yl-1,3-benzoxazol-2-one Traditional Name: 3-ethyl-5-piperazin-4-ium-1-yl-1,3-benzoxazol-2-one Formula: C13H18N3O2+ MolecularWeight: 248.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)N3CC[NH2+]CC3)OC1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)N3CC[NH2+]CC3)OC1=O

InChI

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