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

Systemtic Name: 1-adamantyl-[(2S)-1-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1S)-2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1S)-2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]ammonium Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)[C@H](C)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H33N3O2/c1-14-5-4-6-15(2)21(14)25-20(27)13-24-22(28)16(3)26-23-10-17-7-18(11-23)9-19(8-17)12-23/h4-6,16-19,26H,7-13H2,1-3H3,(H,24,28)(H,25,27)/p+1/t16-,17?,18?,19?,23?/m0/s1