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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24Cl2N2O/c1-3-4-5-9-20-16(21)12(2)19-10-8-13-6-7-14(17)11-15(13)18/h6-7,11-12,19H,3-5,8-10H2,1-2H3,(H,20,21)/p+1/t12-/m0/s1