2-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-propyl]-3-methylidene-isoindol-1-one

Systemtic Name: 2-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-propyl]-3-methylidene-isoindol-1-one Openeye Name: 2-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-oxo-propyl]-3-methylene-isoindolin-1-one CAS Name: 2-[3-[2-(cyclohexylamino)-1-pyridin-1-iumyl]-3-oxopropyl]-3-methylene-1-isoindolone IUPAC Name: 2-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-oxopropyl]-3-methylideneisoindol-1-one Traditional Name: 2-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-keto-propyl]-3-methylene-isoindolin-1-one Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)[N+]3=CC=CC=C3NC4CCCCC4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)[N+]3=CC=CC=C3NC4CCCCC4

InChI

InChI=1S/C23H25N3O2/c1-17-19-11-5-6-12-20(19)23(28)25(17)16-14-22(27)26-15-8-7-13-21(26)24-18-9-3-2-4-10-18/h5-8,11-13,15,18H,1-4,9-10,14,16H2/p+1