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

Systemtic Name: 1-adamantyl-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O/c1-3-15-4-6-19(7-5-15)22-20(24)14(2)23-21-11-16-8-17(12-21)10-18(9-16)13-21/h4-7,14,16-18,23H,3,8-13H2,1-2H3,(H,22,24)/p+1/t14-,16?,17?,18?,21?/m0/s1