[3,5-bis(chloranyl)-4-ethoxy-phenyl]methyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: [3,5-bis(chloranyl)-4-ethoxy-phenyl]methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: (3,5-dichloro-4-ethoxy-phenyl)methyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: (3,5-dichloro-4-ethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: (3,5-dichloro-4-ethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: (3,5-dichloro-4-ethoxy-benzyl)-[(2S)-2-hydroxypropyl]ammonium Formula: C12H18Cl2NO2+ MolecularWeight: 279.18282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C[NH2+]CC(C)O)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C[NH2+]C[C@H](C)O)Cl

InChI

InChI=1S/C12H17Cl2NO2/c1-3-17-12-10(13)4-9(5-11(12)14)7-15-6-8(2)16/h4-5,8,15-16H,3,6-7H2,1-2H3/p+1/t8-/m0/s1