[(1S,2S)-1-(3-chloranyl-4-methoxy-phenyl)-2-methyl-pentyl]azanium

Systemtic Name: [(1S,2S)-1-(3-chloranyl-4-methoxy-phenyl)-2-methyl-pentyl]azanium Openeye Name: [(1S,2S)-1-(3-chloro-4-methoxy-phenyl)-2-methyl-pentyl]ammonium CAS Name: [(1S,2S)-1-(3-chloro-4-methoxyphenyl)-2-methylpentyl]ammonium IUPAC Name: [(1S,2S)-1-(3-chloro-4-methoxyphenyl)-2-methylpentyl]azanium Traditional Name: [(1S,2S)-1-(3-chloro-4-methoxy-phenyl)-2-methyl-pentyl]ammonium Formula: C13H21ClNO+ MolecularWeight: 242.76494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C1=CC(=C(C=C1)OC)Cl)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClNO/c1-4-5-9(2)13(15)10-6-7-12(16-3)11(14)8-10/h6-9,13H,4-5,15H2,1-3H3/p+1/t9-,13-/m0/s1