[(1R)-2-azaniumyl-1-(3-ethoxy-4-oxidanyl-phenyl)ethyl]-bis(2-methylpropyl)azanium

Systemtic Name: [(1R)-2-azaniumyl-1-(3-ethoxy-4-oxidanyl-phenyl)ethyl]-bis(2-methylpropyl)azanium Openeye Name: [(1R)-2-azaniumyl-1-(3-ethoxy-4-hydroxy-phenyl)ethyl]-diisobutyl-ammonium CAS Name: [(1R)-2-ammonio-1-(3-ethoxy-4-hydroxyphenyl)ethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(1R)-2-azaniumyl-1-(3-ethoxy-4-hydroxyphenyl)ethyl]-bis(2-methylpropyl)azanium Traditional Name: [(1R)-2-ammonio-1-(3-ethoxy-4-hydroxy-phenyl)ethyl]-diisobutyl-ammonium Formula: C18H34N2O2+2 MolecularWeight: 310.47476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C[NH3+])[NH+](CC(C)C)CC(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C[NH3+])[NH+](CC(C)C)CC(C)C)O

InChI

InChI=1S/C18H32N2O2/c1-6-22-18-9-15(7-8-17(18)21)16(10-19)20(11-13(2)3)12-14(4)5/h7-9,13-14,16,21H,6,10-12,19H2,1-5H3/p+2/t16-/m0/s1