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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methoxy-2-oxidanyl-phenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2-hydroxy-3-methoxy-phenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2-hydroxy-3-methoxyphenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2-hydroxy-3-methoxyphenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(2-hydroxy-3-methoxy-phenyl)ethyl]-butyl-ethyl-ammonium Formula: C15H28N2O2+2 MolecularWeight: 268.39502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O2/c1-4-6-10-17(5-2)13(11-16)12-8-7-9-14(19-3)15(12)18/h7-9,13,18H,4-6,10-11,16H2,1-3H3/p+2/t13-/m1/s1