[(1R,2S)-2-(3,4-dimethylphenoxy)-1-phenyl-propyl]azanium

Systemtic Name: [(1R,2S)-2-(3,4-dimethylphenoxy)-1-phenyl-propyl]azanium Openeye Name: [(1R,2S)-2-(3,4-dimethylphenoxy)-1-phenyl-propyl]ammonium CAS Name: [(1R,2S)-2-(3,4-dimethylphenoxy)-1-phenylpropyl]ammonium IUPAC Name: [(1R,2S)-2-(3,4-dimethylphenoxy)-1-phenylpropyl]azanium Traditional Name: [(1R,2S)-2-(3,4-dimethylphenoxy)-1-phenyl-propyl]ammonium Formula: C17H22NO+ MolecularWeight: 256.36268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(C2=CC=CC=C2)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)O[C@@H](C)[C@@H](C2=CC=CC=C2)[NH3+])C

InChI

InChI=1S/C17H21NO/c1-12-9-10-16(11-13(12)2)19-14(3)17(18)15-7-5-4-6-8-15/h4-11,14,17H,18H2,1-3H3/p+1/t14-,17-/m0/s1