2-(3-methoxypropyl)-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(3-methoxypropyl)-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(3-methoxypropyl)-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-(3-methoxypropyl)-5-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(3-methoxypropyl)-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-(3-methoxypropyl)-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C22H24N4O4/c1-30-14-2-9-26-21(28)18-4-3-16(15-19(18)22(26)29)20(27)25-12-10-24(11-13-25)17-5-7-23-8-6-17/h3-8,15H,2,9-14H2,1H3/p+1