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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-4,5-dimethoxy-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-4,5-dimethoxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-4,5-dimethoxy-phenyl)ethyl]-butyl-methyl-ammonium Formula: C15H27ClN2O2+2 MolecularWeight: 302.84008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25ClN2O2/c1-5-6-7-18(2)13(10-17)11-8-12(16)15(20-4)14(9-11)19-3/h8-9,13H,5-7,10,17H2,1-4H3/p+2/t13-/m1/s1