[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-(2-cyanoethyl)-cyclohexyl-azanium

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl-(2-cyanoethyl)-cyclohexyl-azanium Openeye Name: 2-cyanoethyl-cyclohexyl-[(1,3-dioxoisoindolin-2-yl)methyl]ammonium CAS Name: 2-cyanoethyl-cyclohexyl-[(1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: 2-cyanoethyl-cyclohexyl-[(1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: 2-cyanoethyl-cyclohexyl-(phthalimidomethyl)ammonium Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CCC#N)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(CC1)[NH+](CCC#N)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21N3O2/c19-11-6-12-20(14-7-2-1-3-8-14)13-21-17(22)15-9-4-5-10-16(15)18(21)23/h4-5,9-10,14H,1-3,6-8,12-13H2/p+1