3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-2H-1,2-benzoxazol-6-one

Systemtic Name: 3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-2H-1,2-benzoxazol-6-one Openeye Name: 3-[1-(4-pyridyl)piperazin-1-ium-1-yl]-2H-1,2-benzoxazol-6-one CAS Name: 3-(1-pyridin-4-yl-1-piperazin-1-iumyl)-2H-1,2-benzoxazol-6-one IUPAC Name: 3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-2H-1,2-benzoxazol-6-one Traditional Name: 3-[1-(4-pyridyl)piperazin-1-ium-1-yl]-2H-indoxazen-6-one Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=CC=NC=C2)C3=C4C=CC(=O)C=C4ON3

Isomeric SMILES

C1C[N+](CCN1)(C2=CC=NC=C2)C3=C4C=CC(=O)C=C4ON3

InChI

InChI=1S/C16H16N4O2/c21-13-1-2-14-15(11-13)22-19-16(14)20(9-7-18-8-10-20)12-3-5-17-6-4-12/h1-6,11,18H,7-10H2/p+1