2-[2,5-bis(chloranyl)phenoxy]ethyl-[(2S)-butan-2-yl]azanium

Systemtic Name: 2-[2,5-bis(chloranyl)phenoxy]ethyl-[(2S)-butan-2-yl]azanium Openeye Name: 2-(2,5-dichlorophenoxy)ethyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-(2,5-dichlorophenoxy)ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-(2,5-dichlorophenoxy)ethyl]azanium Traditional Name: 2-(2,5-dichlorophenoxy)ethyl-[(1S)-1-methylpropyl]ammonium Formula: C12H18Cl2NO+ MolecularWeight: 263.18342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCOC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CC[C@H](C)[NH2+]CCOC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C12H17Cl2NO/c1-3-9(2)15-6-7-16-12-8-10(13)4-5-11(12)14/h4-5,8-9,15H,3,6-7H2,1-2H3/p+1/t9-/m0/s1