[(1S)-2-azaniumyl-1-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-4-hydroxy-5-methoxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-4-hydroxy-5-methoxy-phenyl)ethyl]-butyl-methyl-ammonium Formula: C14H25ClN2O2+2 MolecularWeight: 288.8135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC(=C(C(=C1)Cl)O)OC

InChI

InChI=1S/C14H23ClN2O2/c1-4-5-6-17(2)12(9-16)10-7-11(15)14(18)13(8-10)19-3/h7-8,12,18H,4-6,9,16H2,1-3H3/p+2/t12-/m1/s1