[3,5-bis(chloranyl)-2-methoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: [3,5-bis(chloranyl)-2-methoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: (3,5-dichloro-2-methoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3,5-dichloro-2-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3,5-dichloro-2-methoxyphenyl)methyl]azanium Traditional Name: (3,5-dichloro-2-methoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C12H18Cl2NO+ MolecularWeight: 263.18342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=CC(=C1OC)Cl)Cl

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=CC(=C1OC)Cl)Cl

InChI

InChI=1S/C12H17Cl2NO/c1-4-8(2)15-7-9-5-10(13)6-11(14)12(9)16-3/h5-6,8,15H,4,7H2,1-3H3/p+1/t8-/m0/s1