[(1S)-2-azaniumyl-1-(3-ethoxyphenyl)ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-ethoxyphenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-ethoxyphenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-ethoxyphenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-ethoxyphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-m-phenetyl-ethyl]-dibutyl-ammonium Formula: C18H34N2O+2 MolecularWeight: 294.47536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O/c1-4-7-12-20(13-8-5-2)18(15-19)16-10-9-11-17(14-16)21-6-3/h9-11,14,18H,4-8,12-13,15,19H2,1-3H3/p+2/t18-/m1/s1