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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-7,8-dimethoxy-phthalazine Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-7,8-dimethoxy-phthalazine CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-7,8-dimethoxyphthalazine IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-7,8-dimethoxyphthalazine Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-7,8-dimethoxy-phthalazine Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(N=NC=C2C=C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C2=C(N=NC=C2C=C1)N3CC[NH+](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