2-[(4-methoxyphenyl)methyl]-4-[4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(5-methyl-2-thienyl)methyl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(5-methyl-2-thiophenyl)methyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)methyl]-4-[4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-[(5-methyl-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-p-anisyl-isoindoline-1,3-quinone Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C26H27N3O3S/c1-18-6-11-21(33-18)17-27-12-14-28(15-13-27)23-5-3-4-22-24(23)26(31)29(25(22)30)16-19-7-9-20(32-2)10-8-19/h3-11H,12-17H2,1-2H3/p+1