[(1S)-2-azaniumyl-1-(4-methoxy-3-oxidanyl-phenyl)ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-methoxy-3-oxidanyl-phenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-hydroxy-4-methoxy-phenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-hydroxy-4-methoxyphenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-hydroxy-4-methoxyphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(3-hydroxy-4-methoxy-phenyl)ethyl]-dibutyl-ammonium Formula: C17H32N2O2+2 MolecularWeight: 296.44818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O2/c1-4-6-10-19(11-7-5-2)15(13-18)14-8-9-17(21-3)16(20)12-14/h8-9,12,15,20H,4-7,10-11,13,18H2,1-3H3/p+2/t15-/m1/s1