[4-[(2S)-butan-2-yl]oxy-3-methoxy-phenyl]methylazanium

Systemtic Name: [4-[(2S)-butan-2-yl]oxy-3-methoxy-phenyl]methylazanium Openeye Name: [3-methoxy-4-[(1S)-1-methylpropoxy]phenyl]methylammonium CAS Name: [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylammonium IUPAC Name: [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylazanium Traditional Name: [3-methoxy-4-[(1S)-1-methylpropoxy]benzyl]ammonium Formula: C12H20NO2+ MolecularWeight: 210.2927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C[NH3+])OC

Isomeric SMILES

CC[C@H](C)OC1=C(C=C(C=C1)C[NH3+])OC

InChI

InChI=1S/C12H19NO2/c1-4-9(2)15-11-6-5-10(8-13)7-12(11)14-3/h5-7,9H,4,8,13H2,1-3H3/p+1/t9-/m0/s1