[2-[[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3

Isomeric SMILES

C[C@@](C#N)(C1CC1)NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3

InChI

InChI=1S/C22H32N4O/c1-22(16-23,18-12-13-18)25-21(27)14-24-20-11-7-6-8-17(20)15-26(2)19-9-4-3-5-10-19/h6-8,11,18-19,24H,3-5,9-10,12-15H2,1-2H3,(H,25,27)/p+1/t22-/m1/s1