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

Systemtic Name: 2-[(1R)-1-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazolin-2-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[(1R)-1-[3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-quinazolinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[(1R)-1-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-[4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-2-yl]propyl]isoindoline-1,3-quinone Formula: C25H27N4O4+ MolecularWeight: 447.50628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1CC[NH+]3CCOCC3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1CC[NH+]3CCOCC3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H26N4O4/c1-2-21(29-24(31)17-7-3-4-8-18(17)25(29)32)22-26-20-10-6-5-9-19(20)23(30)28(22)12-11-27-13-15-33-16-14-27/h3-10,21H,2,11-16H2,1H3/p+1/t21-/m1/s1