[4-[(2S)-butan-2-yl]oxy-3,5-dimethyl-phenyl]methylazanium

Systemtic Name: [4-[(2S)-butan-2-yl]oxy-3,5-dimethyl-phenyl]methylazanium Openeye Name: [3,5-dimethyl-4-[(1S)-1-methylpropoxy]phenyl]methylammonium CAS Name: [4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]methylammonium IUPAC Name: [4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]methylazanium Traditional Name: [3,5-dimethyl-4-[(1S)-1-methylpropoxy]benzyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1C)C[NH3+])C

Isomeric SMILES

CC[C@H](C)OC1=C(C=C(C=C1C)C[NH3+])C

InChI

InChI=1S/C13H21NO/c1-5-11(4)15-13-9(2)6-12(8-14)7-10(13)3/h6-7,11H,5,8,14H2,1-4H3/p+1/t11-/m0/s1