[(1S)-1-(3-methoxy-4-oxidanyl-phenyl)ethyl]-[3-(2-methylpropoxy)propyl]azanium

Systemtic Name: [(1S)-1-(3-methoxy-4-oxidanyl-phenyl)ethyl]-[3-(2-methylpropoxy)propyl]azanium Openeye Name: [(1S)-1-(4-hydroxy-3-methoxy-phenyl)ethyl]-(3-isobutoxypropyl)ammonium CAS Name: [(1S)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-[3-(2-methylpropoxy)propyl]ammonium IUPAC Name: [(1S)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-[3-(2-methylpropoxy)propyl]azanium Traditional Name: [(1S)-1-(4-hydroxy-3-methoxy-phenyl)ethyl]-(3-isobutoxypropyl)ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCC[NH2+]C(C)C1=CC(=C(C=C1)O)OC

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)O)OC)[NH2+]CCCOCC(C)C

InChI

InChI=1S/C16H27NO3/c1-12(2)11-20-9-5-8-17-13(3)14-6-7-15(18)16(10-14)19-4/h6-7,10,12-13,17-18H,5,8-9,11H2,1-4H3/p+1/t13-/m0/s1