[(1S)-2-azaniumyl-1-(5-chloranyl-2-oxidanyl-phenyl)ethyl]-cyclohexyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(5-chloranyl-2-oxidanyl-phenyl)ethyl]-cyclohexyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-chloro-2-hydroxy-phenyl)ethyl]-cyclohexyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-chloro-2-hydroxyphenyl)ethyl]-cyclohexyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-chloro-2-hydroxyphenyl)ethyl]-cyclohexyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(5-chloro-2-hydroxy-phenyl)ethyl]-cyclohexyl-ethyl-ammonium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C1CCCCC1)C(C[NH3+])C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CC[NH+](C1CCCCC1)[C@H](C[NH3+])C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C16H25ClN2O/c1-2-19(13-6-4-3-5-7-13)15(11-18)14-10-12(17)8-9-16(14)20/h8-10,13,15,20H,2-7,11,18H2,1H3/p+2/t15-/m1/s1