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

Systemtic Name: [(1S)-2-azaniumyl-1-(4-ethoxy-3-methoxy-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-ethoxy-3-methoxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-ethoxy-3-methoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-ethoxy-3-methoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(4-ethoxy-3-methoxy-phenyl)ethyl]-butyl-methyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-5-7-10-18(3)14(12-17)13-8-9-15(20-6-2)16(11-13)19-4/h8-9,11,14H,5-7,10,12,17H2,1-4H3/p+2/t14-/m1/s1