[2-[[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C24H37N4O+ MolecularWeight: 397.57678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NCC(=O)NC2(CCCCCC2)C#N)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NCC(=O)NC2(CCCCCC2)C#N)C3CCCCC3

InChI

InChI=1S/C24H36N4O/c1-28(21-12-5-4-6-13-21)18-20-11-7-8-14-22(20)26-17-23(29)27-24(19-25)15-9-2-3-10-16-24/h7-8,11,14,21,26H,2-6,9-10,12-13,15-18H2,1H3,(H,27,29)/p+1