[(2S)-butan-2-yl]-[2-(3,5-dimethylphenoxy)ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[2-(3,5-dimethylphenoxy)ethyl]azanium Openeye Name: 2-(3,5-dimethylphenoxy)ethyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-(3,5-dimethylphenoxy)ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-(3,5-dimethylphenoxy)ethyl]azanium Traditional Name: 2-(3,5-dimethylphenoxy)ethyl-[(1S)-1-methylpropyl]ammonium Formula: C14H24NO+ MolecularWeight: 222.34646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCOC1=CC(=CC(=C1)C)C

Isomeric SMILES

CC[C@H](C)[NH2+]CCOC1=CC(=CC(=C1)C)C

InChI

InChI=1S/C14H23NO/c1-5-13(4)15-6-7-16-14-9-11(2)8-12(3)10-14/h8-10,13,15H,5-7H2,1-4H3/p+1/t13-/m0/s1