2-[(1R)-1-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[(1R)-1-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[(1R)-1-[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[(1R)-1-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]propyl]isoindoline-1,3-quinone Formula: C26H29N4O4+ MolecularWeight: 461.53286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H28N4O4/c1-2-22(30-25(32)18-8-3-4-9-19(18)26(30)33)23-27-21-11-6-5-10-20(21)24(31)29(23)13-7-12-28-14-16-34-17-15-28/h3-6,8-11,22H,2,7,12-17H2,1H3/p+1/t22-/m1/s1