[(1S)-2-azaniumyl-1-(3,5-dimethoxyphenyl)ethyl]-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3,5-dimethoxyphenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3,5-dimethoxyphenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3,5-dimethoxyphenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3,5-dimethoxyphenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(3,5-dimethoxyphenyl)ethyl]-butyl-ethyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-5-7-8-18(6-2)16(12-17)13-9-14(19-3)11-15(10-13)20-4/h9-11,16H,5-8,12,17H2,1-4H3/p+2/t16-/m1/s1