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

Systemtic Name: [(2S)-butan-2-yl]-[(5-chloranyl-2-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: (2-allyloxy-5-chloro-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(5-chloro-2-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(5-chloro-2-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (2-allyloxy-5-chloro-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C14H21ClNO+ MolecularWeight: 254.77564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClNO/c1-4-8-17-14-7-6-13(15)9-12(14)10-16-11(3)5-2/h4,6-7,9,11,16H,1,5,8,10H2,2-3H3/p+1/t11-/m0/s1