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

Systemtic Name: 7-bromanyl-6-methoxy-3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazole Openeye Name: 7-bromo-6-methoxy-3-[1-(4-pyridyl)piperazin-1-ium-1-yl]-1,2-benzoxazole CAS Name: 7-bromo-6-methoxy-3-(1-pyridin-4-yl-1-piperazin-1-iumyl)-1,2-benzoxazole IUPAC Name: 7-bromo-6-methoxy-3-(1-pyridin-4-ylpiperazin-1-ium-1-yl)-1,2-benzoxazole Traditional Name: 7-bromo-6-methoxy-3-[1-(4-pyridyl)piperazin-1-ium-1-yl]indoxazene Formula: C17H18BrN4O2+ MolecularWeight: 390.25442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=NO2)[N+]3(CCNCC3)C4=CC=NC=C4)Br

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=NO2)[N+]3(CCNCC3)C4=CC=NC=C4)Br

InChI

InChI=1S/C17H18BrN4O2/c1-23-14-3-2-13-16(15(14)18)24-21-17(13)22(10-8-20-9-11-22)12-4-6-19-7-5-12/h2-7,20H,8-11H2,1H3/q+1