1-[4-(diphenylmethyl)piperazin-1-yl]-7,8-dimethoxy-phthalazin-3-ium

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-7,8-dimethoxy-phthalazin-3-ium Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-7,8-dimethoxy-phthalazin-3-ium CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-7,8-dimethoxyphthalazin-3-ium IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-7,8-dimethoxyphthalazin-3-ium Traditional Name: 1-(4-benzhydrylpiperazino)-7,8-dimethoxy-phthalazin-3-ium Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(N=[NH+]C=C2C=C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C2=C(N=[NH+]C=C2C=C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H28N4O2/c1-32-23-14-13-22-19-28-29-27(24(22)26(23)33-2)31-17-15-30(16-18-31)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3/p+1