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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-5-ethoxy-4-hydroxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-5-ethoxy-4-hydroxy-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)O)OCC

Isomeric SMILES

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

InChI

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