[(2S)-1-tert-butyl-3,4-dimethyl-5-oxidanylidene-2H-pyrrol-2-yl]-[(1S)-1-(2-ethylphenyl)-3-methoxy-3-oxidanylidene-propyl]azanium

Systemtic Name: [(2S)-1-tert-butyl-3,4-dimethyl-5-oxidanylidene-2H-pyrrol-2-yl]-[(1S)-1-(2-ethylphenyl)-3-methoxy-3-oxidanylidene-propyl]azanium Openeye Name: [(2S)-1-tert-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(1S)-1-(2-ethylphenyl)-3-methoxy-3-oxo-propyl]ammonium CAS Name: [(2S)-1-tert-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(1S)-1-(2-ethylphenyl)-3-methoxy-3-oxopropyl]ammonium IUPAC Name: [(2S)-1-tert-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-[(1S)-1-(2-ethylphenyl)-3-methoxy-3-oxopropyl]azanium Traditional Name: [(2S)-1-tert-butyl-5-keto-3,4-dimethyl-3-pyrrolin-2-yl]-[(1S)-1-(2-ethylphenyl)-3-keto-3-methoxy-propyl]ammonium Formula: C22H33N2O3+ MolecularWeight: 373.50902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(CC(=O)OC)[NH2+]C2C(=C(C(=O)N2C(C)(C)C)C)C

Isomeric SMILES

CCC1=CC=CC=C1[C@H](CC(=O)OC)[NH2+][C@@H]2C(=C(C(=O)N2C(C)(C)C)C)C

InChI

InChI=1S/C22H32N2O3/c1-8-16-11-9-10-12-17(16)18(13-19(25)27-7)23-20-14(2)15(3)21(26)24(20)22(4,5)6/h9-12,18,20,23H,8,13H2,1-7H3/p+1/t18-,20-/m0/s1