[(1R)-2-azaniumyl-1-(3-butoxyphenyl)ethyl]-bis(2-methylpropyl)azanium

Systemtic Name: [(1R)-2-azaniumyl-1-(3-butoxyphenyl)ethyl]-bis(2-methylpropyl)azanium Openeye Name: [(1R)-2-azaniumyl-1-(3-butoxyphenyl)ethyl]-diisobutyl-ammonium CAS Name: [(1R)-2-ammonio-1-(3-butoxyphenyl)ethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(1R)-2-azaniumyl-1-(3-butoxyphenyl)ethyl]-bis(2-methylpropyl)azanium Traditional Name: [(1R)-2-ammonio-1-(3-butoxyphenyl)ethyl]-diisobutyl-ammonium Formula: C20H38N2O+2 MolecularWeight: 322.52852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(C[NH3+])[NH+](CC(C)C)CC(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+](CC(C)C)CC(C)C

InChI

InChI=1S/C20H36N2O/c1-6-7-11-23-19-10-8-9-18(12-19)20(13-21)22(14-16(2)3)15-17(4)5/h8-10,12,16-17,20H,6-7,11,13-15,21H2,1-5H3/p+2/t20-/m0/s1