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

Systemtic Name: 2-[[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-m-anisylpiperazin-4-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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