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

Systemtic Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Openeye Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Traditional Name: 4-(4-m-anisylpiperazin-4-ium-1-yl)-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC(=CC=C5)OC

Isomeric SMILES

C[C@H](C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C26H27N3O3S/c1-18(23-10-5-15-33-23)29-25(30)21-8-4-9-22(24(21)26(29)31)28-13-11-27(12-14-28)17-19-6-3-7-20(16-19)32-2/h3-10,15-16,18H,11-14,17H2,1-2H3/p+1/t18-/m1/s1