2-[(4-methoxyphenyl)methyl]-4-[4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(6-methyl-2-pyridinyl)methyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]-2-p-anisyl-isoindoline-1,3-quinone Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H28N4O3/c1-19-5-3-6-21(28-19)18-29-13-15-30(16-14-29)24-8-4-7-23-25(24)27(33)31(26(23)32)17-20-9-11-22(34-2)12-10-20/h3-12H,13-18H2,1-2H3/p+1