[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: benzyl-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]ammonium Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(C[NH2+]CC2=CC=CC=C2)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@H](C[NH2+]CC2=CC=CC=C2)O)C

InChI

InChI=1S/C18H23NO2/c1-14-8-9-18(10-15(14)2)21-13-17(20)12-19-11-16-6-4-3-5-7-16/h3-10,17,19-20H,11-13H2,1-2H3/p+1/t17-/m0/s1