2-(2,4-dichlorophenyl)ethyl-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2-(2,4-dichlorophenyl)ethyl-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-(2,4-dichlorophenyl)ethyl-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 2-(2,4-dichlorophenyl)ethyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 2-(2,4-dichlorophenyl)ethyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]azanium Traditional Name: 2-(2,4-dichlorophenyl)ethyl-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C16H25Cl2N2O+ MolecularWeight: 332.2885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)[NH2+]CCC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)[NH2+]CCC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C16H24Cl2N2O/c1-11(2)6-8-20-16(21)12(3)19-9-7-13-4-5-14(17)10-15(13)18/h4-5,10-12,19H,6-9H2,1-3H3,(H,20,21)/p+1/t12-/m0/s1