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

Systemtic Name: (3R)-3-(1,2-dimethylindol-3-yl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one Openeye Name: (3R)-3-(1,2-dimethylindol-3-yl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: (3R)-3-(1,2-dimethyl-3-indolyl)-2-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: (3R)-3-(1,2-dimethylindol-3-yl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-3H-isoindol-1-one Traditional Name: (3R)-3-(1,2-dimethylindol-3-yl)-2-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]isoindolin-1-one Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C3C4=CC=CC=C4C(=O)N3CC(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)[C@H]3C4=CC=CC=C4C(=O)N3CC(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C25H28N4O2/c1-17-23(20-10-6-7-11-21(20)27(17)3)24-18-8-4-5-9-19(18)25(31)29(24)16-22(30)28-14-12-26(2)13-15-28/h4-11,24H,12-16H2,1-3H3/p+1/t24-/m1/s1