cyclohexyl-methyl-[[2-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]benzyl]-methyl-ammonium Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O)C4CCCCC4

InChI

InChI=1S/C26H31N3O2/c1-19-22-13-7-8-14-23(22)26(31)29(19)17-16-25(30)27-24-15-9-6-10-20(24)18-28(2)21-11-4-3-5-12-21/h6-10,13-15,21H,1,3-5,11-12,16-18H2,2H3,(H,27,30)/p+1