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

Systemtic Name: 2-[(3-chlorophenyl)methyl]-4-[4-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(3-chlorophenyl)methyl]-4-[4-(4-methylpiperazin-4-ium-1-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-[(3-chlorophenyl)methyl]-4-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-[(3-chlorophenyl)methyl]-4-[4-(4-methylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(3-chlorobenzyl)-4-[4-(4-methylpiperazin-4-ium-1-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C26H30ClN4O3+ MolecularWeight: 481.9944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC(=CC=C5)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC(=CC=C5)Cl

InChI

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