[(2S)-2-azaniumyl-2-(1-benzofuran-2-yl)ethyl]-dibutyl-azanium

Systemtic Name: [(2S)-2-azaniumyl-2-(1-benzofuran-2-yl)ethyl]-dibutyl-azanium Openeye Name: [(2S)-2-azaniumyl-2-(benzofuran-2-yl)ethyl]-dibutyl-ammonium CAS Name: [(2S)-2-ammonio-2-(2-benzofuranyl)ethyl]-dibutylammonium IUPAC Name: [(2S)-2-azaniumyl-2-(1-benzofuran-2-yl)ethyl]-dibutylazanium Traditional Name: [(2S)-2-ammonio-2-(benzofuran-2-yl)ethyl]-dibutyl-ammonium Formula: C18H30N2O+2 MolecularWeight: 290.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(C1=CC2=CC=CC=C2O1)[NH3+]

Isomeric SMILES

CCCC[NH+](CCCC)C[C@@H](C1=CC2=CC=CC=C2O1)[NH3+]

InChI

InChI=1S/C18H28N2O/c1-3-5-11-20(12-6-4-2)14-16(19)18-13-15-9-7-8-10-17(15)21-18/h7-10,13,16H,3-6,11-12,14,19H2,1-2H3/p+2/t16-/m0/s1