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

Systemtic Name: [(2S)-butan-2-yl]-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: (4-allyloxy-3-chloro-5-methoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxy-3-chloro-5-methoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C15H23ClNO2+ MolecularWeight: 284.80162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClNO2/c1-5-7-19-15-13(16)8-12(9-14(15)18-4)10-17-11(3)6-2/h5,8-9,11,17H,1,6-7,10H2,2-4H3/p+1/t11-/m0/s1