6-methoxy-3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazole

Systemtic Name: 6-methoxy-3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazole Openeye Name: 6-methoxy-3-[1-(4-pyridyl)piperazin-1-ium-1-yl]-1,2-benzoxazole CAS Name: 6-methoxy-3-(1-pyridin-4-yl-1-piperazin-1-iumyl)-1,2-benzoxazole IUPAC Name: 6-methoxy-3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazole Traditional Name: 6-methoxy-3-[1-(4-pyridyl)piperazin-1-ium-1-yl]indoxazene Formula: C17H19N4O2+ MolecularWeight: 311.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NO2)[N+]3(CCNCC3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NO2)[N+]3(CCNCC3)C4=CC=NC=C4

InChI

InChI=1S/C17H19N4O2/c1-22-14-2-3-15-16(12-14)23-20-17(15)21(10-8-19-9-11-21)13-4-6-18-7-5-13/h2-7,12,19H,8-11H2,1H3/q+1