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

Systemtic Name: 1-adamantylmethyl-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1S)-2-keto-2-mesidino-1-methyl-ethyl]ammonium Formula: C23H35N2O+ MolecularWeight: 355.5368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)[NH2+]CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)[NH2+]CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H34N2O/c1-14-5-15(2)21(16(3)6-14)25-22(26)17(4)24-13-23-10-18-7-19(11-23)9-20(8-18)12-23/h5-6,17-20,24H,7-13H2,1-4H3,(H,25,26)/p+1/t17-,18?,19?,20?,23?/m0/s1