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

Systemtic Name: [(1S)-2-azaniumyl-1-(4-methoxy-3-oxidanyl-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-hydroxy-4-methoxy-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-hydroxy-4-methoxyphenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-hydroxy-4-methoxyphenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-hydroxy-4-methoxy-phenyl)ethyl]-butyl-methyl-ammonium Formula: C14H26N2O2+2 MolecularWeight: 254.36844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O2/c1-4-5-8-16(2)12(10-15)11-6-7-14(18-3)13(17)9-11/h6-7,9,12,17H,4-5,8,10,15H2,1-3H3/p+2/t12-/m1/s1