3-methylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]isoindol-1-one

Systemtic Name: 3-methylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]isoindol-1-one Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-methylene-isoindolin-1-one CAS Name: 3-methylene-2-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1-isoindolone IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-methylideneisoindol-1-one Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3-methylene-isoindolin-1-one Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-17-19-9-5-6-10-20(19)22(27)25(17)16-21(26)24-13-11-23(12-14-24)15-18-7-3-2-4-8-18/h2-10H,1,11-16H2/p+1