[(2S)-butan-2-yl]-[2-(4-chloranyl-3-ethyl-phenoxy)ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[2-(4-chloranyl-3-ethyl-phenoxy)ethyl]azanium Openeye Name: 2-(4-chloro-3-ethyl-phenoxy)ethyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-(4-chloro-3-ethylphenoxy)ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-(4-chloro-3-ethylphenoxy)ethyl]azanium Traditional Name: 2-(4-chloro-3-ethyl-phenoxy)ethyl-[(1S)-1-methylpropyl]ammonium Formula: C14H23ClNO+ MolecularWeight: 256.79152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCC[NH2+]C(C)CC)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCC[NH2+][C@@H](C)CC)Cl

InChI

InChI=1S/C14H22ClNO/c1-4-11(3)16-8-9-17-13-6-7-14(15)12(5-2)10-13/h6-7,10-11,16H,4-5,8-9H2,1-3H3/p+1/t11-/m0/s1