2-(2-methoxyethyl)-4-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(2-methoxyethyl)-4-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 4-[4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-piperidyl]-2-(2-methoxyethyl)isoindoline-1,3-dione CAS Name: 2-(2-methoxyethyl)-4-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 4-[4-(4-benzylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]-2-(2-methoxyethyl)isoindole-1,3-dione Traditional Name: 4-[4-(4-benzylpiperazin-4-ium-1-carbonyl)piperidino]-2-(2-methoxyethyl)isoindoline-1,3-quinone Formula: C28H35N4O4+ MolecularWeight: 491.6019

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCC(CC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCC(CC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H34N4O4/c1-36-19-18-32-27(34)23-8-5-9-24(25(23)28(32)35)30-12-10-22(11-13-30)26(33)31-16-14-29(15-17-31)20-21-6-3-2-4-7-21/h2-9,22H,10-20H2,1H3/p+1