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

Systemtic Name: (3R)-3-(1,2-dimethylindol-3-yl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Openeye Name: (3R)-3-(1,2-dimethylindol-3-yl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindolin-1-one CAS Name: (3R)-3-(1,2-dimethyl-3-indolyl)-2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-3H-isoindol-1-one IUPAC Name: (3R)-3-(1,2-dimethylindol-3-yl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Traditional Name: (3R)-3-(1,2-dimethylindol-3-yl)-2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]isoindolin-1-one Formula: C29H30N5O2+ MolecularWeight: 480.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C3C4=CC=CC=C4C(=O)N3CC(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)[C@H]3C4=CC=CC=C4C(=O)N3CC(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C29H29N5O2/c1-20-27(23-11-5-6-12-24(23)31(20)2)28-21-9-3-4-10-22(21)29(36)34(28)19-26(35)33-17-15-32(16-18-33)25-13-7-8-14-30-25/h3-14,28H,15-19H2,1-2H3/p+1/t28-/m1/s1