[(2S)-butan-2-yl]-[(3-chloranyl-4-ethoxy-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(3-chloranyl-4-ethoxy-phenyl)methyl]azanium Openeye Name: (3-chloro-4-ethoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-chloro-4-ethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-chloro-4-ethoxyphenyl)methyl]azanium Traditional Name: (3-chloro-4-ethoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C13H21ClNO+ MolecularWeight: 242.76494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=C(C=C1)OCC)Cl

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=C(C=C1)OCC)Cl

InChI

InChI=1S/C13H20ClNO/c1-4-10(3)15-9-11-6-7-13(16-5-2)12(14)8-11/h6-8,10,15H,4-5,9H2,1-3H3/p+1/t10-/m0/s1