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

Systemtic Name: [(2R)-butan-2-yl]-[3-(4-chloranyl-3-ethyl-phenoxy)propyl]azanium Openeye Name: 3-(4-chloro-3-ethyl-phenoxy)propyl-[(1R)-1-methylpropyl]ammonium CAS Name: [(2R)-butan-2-yl]-[3-(4-chloro-3-ethylphenoxy)propyl]ammonium IUPAC Name: [(2R)-butan-2-yl]-[3-(4-chloro-3-ethylphenoxy)propyl]azanium Traditional Name: 3-(4-chloro-3-ethyl-phenoxy)propyl-[(1R)-1-methylpropyl]ammonium Formula: C15H25ClNO+ MolecularWeight: 270.8181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24ClNO/c1-4-12(3)17-9-6-10-18-14-7-8-15(16)13(5-2)11-14/h7-8,11-12,17H,4-6,9-10H2,1-3H3/p+1/t12-/m1/s1