[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[(1S)-1-(4-cyclohexylphenyl)-2-methyl-propyl]azanium

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[(1S)-1-(4-cyclohexylphenyl)-2-methyl-propyl]azanium Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl]-[(1S)-1-(4-cyclohexylphenyl)-2-methyl-propyl]ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[(1S)-1-(4-cyclohexylphenyl)-2-methylpropyl]ammonium IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[(1S)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium Traditional Name: [2-(2-cyanoethylamino)-2-keto-ethyl]-[(1S)-1-(4-cyclohexylphenyl)-2-methyl-propyl]ammonium Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C2CCCCC2)[NH2+]CC(=O)NCCC#N

Isomeric SMILES

CC(C)[C@@H](C1=CC=C(C=C1)C2CCCCC2)[NH2+]CC(=O)NCCC#N

InChI

InChI=1S/C21H31N3O/c1-16(2)21(24-15-20(25)23-14-6-13-22)19-11-9-18(10-12-19)17-7-4-3-5-8-17/h9-12,16-17,21,24H,3-8,14-15H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1