1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methyl-phthalazin-2-ium

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methyl-phthalazin-2-ium Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methyl-phthalazin-2-ium CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-4-methylphthalazin-2-ium IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methylphthalazin-2-ium Traditional Name: 1-methyl-4-(4-veratrylpiperazino)phthalazin-3-ium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)N3CCN(CC3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)N3CCN(CC3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H26N4O2/c1-16-18-6-4-5-7-19(18)22(24-23-16)26-12-10-25(11-13-26)15-17-8-9-20(27-2)21(14-17)28-3/h4-9,14H,10-13,15H2,1-3H3/p+1