[1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]methanol

Systemtic Name: [1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]methanol Openeye Name: [1-[4-[(3-bromo-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]methanol CAS Name: [1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-1-phthalazinyl]-1-piperidin-1-iumyl]methanol IUPAC Name: [1-[4-[(3-bromo-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]methanol Traditional Name: [1-[4-[(3-bromo-4-methoxy-benzyl)amino]phthalazin-1-yl]piperidin-1-ium-1-yl]methanol Formula: C22H26BrN4O2+ MolecularWeight: 458.37144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)[N+]4(CCCCC4)CO)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)[N+]4(CCCCC4)CO)Br

InChI

InChI=1S/C22H26BrN4O2/c1-29-20-10-9-16(13-19(20)23)14-24-21-17-7-3-4-8-18(17)22(26-25-21)27(15-28)11-5-2-6-12-27/h3-4,7-10,13,28H,2,5-6,11-12,14-15H2,1H3,(H,24,25)/q+1