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

Systemtic Name: [(2S)-butan-2-yl]-[(3-chloranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-chloro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-chloro-4-methoxyphenyl)methyl]azanium Traditional Name: (3-chloro-4-methoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C12H19ClNO+ MolecularWeight: 228.73836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClNO/c1-4-9(2)14-8-10-5-6-12(15-3)11(13)7-10/h5-7,9,14H,4,8H2,1-3H3/p+1/t9-/m0/s1