[(1S)-2-azaniumyl-1-(2,4,5-trimethoxyphenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2,4,5-trimethoxyphenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,4,5-trimethoxyphenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,4,5-trimethoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,4,5-trimethoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-asaryl-ethyl]-butyl-methyl-ammonium Formula: C16H30N2O3+2 MolecularWeight: 298.421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC(=C(C=C1OC)OC)OC

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC(=C(C=C1OC)OC)OC

InChI

InChI=1S/C16H28N2O3/c1-6-7-8-18(2)13(11-17)12-9-15(20-4)16(21-5)10-14(12)19-3/h9-10,13H,6-8,11,17H2,1-5H3/p+2/t13-/m1/s1