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

Systemtic Name: [(1S)-2-azaniumyl-1-(4-methoxy-3-oxidanyl-phenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-hydroxy-4-methoxy-phenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-hydroxy-4-methoxyphenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-hydroxy-4-methoxyphenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(3-hydroxy-4-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=CC(=C(C=C1)OC)O

Isomeric SMILES

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

InChI

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