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

Systemtic Name: 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(2,3-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-(4-o-veratrylpiperazin-4-ium-1-yl)-2-(3-thenyl)isoindoline-1,3-quinone Formula: C26H28N3O4S+ MolecularWeight: 478.58322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

InChI

InChI=1S/C26H27N3O4S/c1-32-22-8-3-5-19(24(22)33-2)16-27-10-12-28(13-11-27)21-7-4-6-20-23(21)26(31)29(25(20)30)15-18-9-14-34-17-18/h3-9,14,17H,10-13,15-16H2,1-2H3/p+1