[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-3-methyl-1-phenyl-butyl]azanium

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(1R)-3-methyl-1-phenyl-butyl]azanium Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-[(1R)-3-methyl-1-phenyl-butyl]ammonium CAS Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1R)-3-methyl-1-phenylbutyl]ammonium IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1R)-3-methyl-1-phenylbutyl]azanium Traditional Name: [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-[(1R)-3-methyl-1-phenyl-butyl]ammonium Formula: C22H31N2O+ MolecularWeight: 339.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH2+]C(CC(C)C)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH2+][C@H](CC(C)C)C2=CC=CC=C2)C

InChI

InChI=1S/C22H30N2O/c1-5-18-13-9-10-17(4)22(18)24-21(25)15-23-20(14-16(2)3)19-11-7-6-8-12-19/h6-13,16,20,23H,5,14-15H2,1-4H3,(H,24,25)/p+1/t20-/m1/s1