2-adamantyl-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 2-adamantyl-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]azanium Openeye Name: 2-adamantyl-[(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: 2-adamantyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]ammonium IUPAC Name: 2-adamantyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium Traditional Name: 2-adamantyl-[(1S)-2-keto-2-mesidino-1-methyl-ethyl]ammonium Formula: C22H33N2O+ MolecularWeight: 341.51022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)[NH2+]C2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)[NH2+]C2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C22H32N2O/c1-12-5-13(2)20(14(3)6-12)24-22(25)15(4)23-21-18-8-16-7-17(10-18)11-19(21)9-16/h5-6,15-19,21,23H,7-11H2,1-4H3,(H,24,25)/p+1/t15-,16?,17?,18?,19?,21?/m0/s1