2-[(4-chlorophenyl)methyl]-4-[4-(1-ethanoylpiperidin-4-yl)piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(4-chlorophenyl)methyl]-4-[4-(1-ethanoylpiperidin-4-yl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 4-[4-(1-acetyl-4-piperidyl)piperazin-4-ium-1-yl]-2-[(4-chlorophenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-(1-acetyl-4-piperidinyl)-1-piperazin-4-iumyl]-2-[(4-chlorophenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(1-acetylpiperidin-4-yl)piperazin-4-ium-1-yl]-2-[(4-chlorophenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(1-acetyl-4-piperidyl)piperazin-4-ium-1-yl]-2-(4-chlorobenzyl)isoindoline-1,3-quinone Formula: C26H30ClN4O3+ MolecularWeight: 481.9944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H29ClN4O3/c1-18(32)28-11-9-21(10-12-28)29-13-15-30(16-14-29)23-4-2-3-22-24(23)26(34)31(25(22)33)17-19-5-7-20(27)8-6-19/h2-8,21H,9-17H2,1H3/p+1