2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]isoindoline-1,3-quinone Formula: C21H25N3O3+2 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O3/c1-27-17-8-6-16(7-9-17)14-22-10-12-23(13-11-22)15-24-20(25)18-4-2-3-5-19(18)21(24)26/h2-9H,10-15H2,1H3/p+2