(3R)-3-(1H-indol-3-yl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-3H-isoindol-1-one

Systemtic Name: (3R)-3-(1H-indol-3-yl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-3H-isoindol-1-one Openeye Name: (3R)-3-(1H-indol-3-yl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]isoindolin-1-one CAS Name: (3R)-3-(1H-indol-3-yl)-2-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-3H-isoindol-1-one IUPAC Name: (3R)-3-(1H-indol-3-yl)-2-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-3H-isoindol-1-one Traditional Name: (3R)-3-(1H-indol-3-yl)-2-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]isoindolin-1-one Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C(C3=CC=CC=C3C2=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2[C@H](C3=CC=CC=C3C2=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H26N4O2/c1-26-12-14-27(15-13-26)22(29)10-11-28-23(18-7-2-3-8-19(18)24(28)30)20-16-25-21-9-5-4-6-17(20)21/h2-9,16,23,25H,10-15H2,1H3/p+1/t23-/m1/s1