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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-chloro-5-ethoxy-4-methoxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-chloro-5-ethoxy-4-methoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-chloro-5-ethoxy-4-methoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-chloro-5-ethoxy-4-methoxy-phenyl)ethyl]-butyl-methyl-ammonium Formula: C16H29ClN2O2+2 MolecularWeight: 316.86666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27ClN2O2/c1-5-7-8-19(3)14(11-18)12-9-13(17)16(20-4)15(10-12)21-6-2/h9-10,14H,5-8,11,18H2,1-4H3/p+2/t14-/m1/s1