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

Systemtic Name: 3-methyl-5-piperazin-4-ium-1-yl-1,3-benzoxazol-2-one Openeye Name: 3-methyl-5-piperazin-4-ium-1-yl-1,3-benzoxazol-2-one CAS Name: 3-methyl-5-(1-piperazin-4-iumyl)-1,3-benzoxazol-2-one IUPAC Name: 3-methyl-5-piperazin-4-ium-1-yl-1,3-benzoxazol-2-one Traditional Name: 3-methyl-5-piperazin-4-ium-1-yl-1,3-benzoxazol-2-one Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)N3CC[NH2+]CC3)OC1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)N3CC[NH2+]CC3)OC1=O

InChI

InChI=1S/C12H15N3O2/c1-14-10-8-9(15-6-4-13-5-7-15)2-3-11(10)17-12(14)16/h2-3,8,13H,4-7H2,1H3/p+1