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

Systemtic Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-(benzothiophen-2-ylmethyl)-4-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[(2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(benzothiophen-2-ylmethyl)-4-(4-o-anisylpiperazin-4-ium-1-yl)isoindoline-1,3-quinone Formula: C29H28N3O3S+ MolecularWeight: 498.61592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C29H27N3O3S/c1-35-25-11-4-2-8-21(25)18-30-13-15-31(16-14-30)24-10-6-9-23-27(24)29(34)32(28(23)33)19-22-17-20-7-3-5-12-26(20)36-22/h2-12,17H,13-16,18-19H2,1H3/p+1