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

Systemtic Name: (3R)-3-(1H-indol-3-yl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one Openeye Name: (3R)-3-(1H-indol-3-yl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: (3R)-3-(1H-indol-3-yl)-2-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: (3R)-3-(1H-indol-3-yl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-3H-isoindol-1-one Traditional Name: (3R)-3-(1H-indol-3-yl)-2-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]isoindolin-1-one Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C(C3=CC=CC=C3C2=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2[C@H](C3=CC=CC=C3C2=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H24N4O2/c1-25-10-12-26(13-11-25)21(28)15-27-22(17-7-2-3-8-18(17)23(27)29)19-14-24-20-9-5-4-6-16(19)20/h2-9,14,22,24H,10-13,15H2,1H3/p+1/t22-/m1/s1