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

Systemtic Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-[2-(1-pyrazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Traditional Name: 4-(4-m-anisylpiperazin-4-ium-1-yl)-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-quinone Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CCN5C=CC=N5

InChI

InChI=1S/C25H27N5O3/c1-33-20-6-2-5-19(17-20)18-27-11-13-28(14-12-27)22-8-3-7-21-23(22)25(32)30(24(21)31)16-15-29-10-4-9-26-29/h2-10,17H,11-16,18H2,1H3/p+1