2-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-keto-3-[4-(4-methylquinolin-1-ium-2-yl)piperazino]propyl]isoindoline-1,3-quinone Formula: C25H25N4O3+ MolecularWeight: 429.491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H24N4O3/c1-17-16-22(26-21-9-5-4-6-18(17)21)27-12-14-28(15-13-27)23(30)10-11-29-24(31)19-7-2-3-8-20(19)25(29)32/h2-9,16H,10-15H2,1H3/p+1