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

Systemtic Name: 4-[4-[(1-ethanoylindol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(1-acetylindol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(1-acetyl-3-indolyl)methyl]-1-piperazin-4-iumyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(1-acetylindol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-[(1-acetylindol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(3-thenyl)isoindoline-1,3-quinone Formula: C28H27N4O3S+ MolecularWeight: 499.60398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CSC=C6

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CSC=C6

InChI

InChI=1S/C28H26N4O3S/c1-19(33)31-17-21(22-5-2-3-7-24(22)31)16-29-10-12-30(13-11-29)25-8-4-6-23-26(25)28(35)32(27(23)34)15-20-9-14-36-18-20/h2-9,14,17-18H,10-13,15-16H2,1H3/p+1