1-adamantyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium Traditional Name: 1-adamantyl-[(1S)-2-cumidino-2-keto-1-methyl-ethyl]ammonium Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O/c1-14(2)19-4-6-20(7-5-19)23-21(25)15(3)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,14-18,24H,8-13H2,1-3H3,(H,23,25)/p+1/t15-,16?,17?,18?,22?/m0/s1