[(2S)-butan-2-yl]-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]azanium Openeye Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]azanium Traditional Name: (3-chloro-4-ethoxy-5-methoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C14H23ClNO2+ MolecularWeight: 272.79092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClNO2/c1-5-10(3)16-9-11-7-12(15)14(18-6-2)13(8-11)17-4/h7-8,10,16H,5-6,9H2,1-4H3/p+1/t10-/m0/s1