[(3S)-1-(4-chloranyl-2-methyl-phenoxy)pentan-3-yl]azanium

Systemtic Name: [(3S)-1-(4-chloranyl-2-methyl-phenoxy)pentan-3-yl]azanium Openeye Name: [(1S)-3-(4-chloro-2-methyl-phenoxy)-1-ethyl-propyl]ammonium CAS Name: [(3S)-1-(4-chloro-2-methylphenoxy)pentan-3-yl]ammonium IUPAC Name: [(3S)-1-(4-chloro-2-methylphenoxy)pentan-3-yl]azanium Traditional Name: [(1S)-3-(4-chloro-2-methyl-phenoxy)-1-ethyl-propyl]ammonium Formula: C12H19ClNO+ MolecularWeight: 228.73836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCOC1=C(C=C(C=C1)Cl)C)[NH3+]

Isomeric SMILES

CC[C@@H](CCOC1=C(C=C(C=C1)Cl)C)[NH3+]

InChI

InChI=1S/C12H18ClNO/c1-3-11(14)6-7-15-12-5-4-10(13)8-9(12)2/h4-5,8,11H,3,6-7,14H2,1-2H3/p+1/t11-/m0/s1