2-(3-methoxypropyl)-4-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(3-methoxypropyl)-4-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-(3-methoxypropyl)-4-[4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-(3-methoxypropyl)-4-[4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-(3-methoxypropyl)-4-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(3-methoxypropyl)-4-[4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C26H30N5O3+ MolecularWeight: 460.5481

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C26H29N5O3/c1-34-18-6-13-31-25(32)21-8-4-9-22(24(21)26(31)33)29-16-14-28(15-17-29)19-20-7-5-12-30(20)23-10-2-3-11-27-23/h2-5,7-12H,6,13-19H2,1H3/p+1