[(1R,2S)-2-(2,5-dimethylphenoxy)-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2S)-2-(2,5-dimethylphenoxy)-1-phenyl-butyl]azanium Openeye Name: [(1R,2S)-2-(2,5-dimethylphenoxy)-1-phenyl-butyl]ammonium CAS Name: [(1R,2S)-2-(2,5-dimethylphenoxy)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2S)-2-(2,5-dimethylphenoxy)-1-phenylbutyl]azanium Traditional Name: [(1R,2S)-2-(2,5-dimethylphenoxy)-1-phenyl-butyl]ammonium Formula: C18H24NO+ MolecularWeight: 270.38926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)[NH3+])OC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC=CC=C1)[NH3+])OC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H23NO/c1-4-16(18(19)15-8-6-5-7-9-15)20-17-12-13(2)10-11-14(17)3/h5-12,16,18H,4,19H2,1-3H3/p+1/t16-,18+/m0/s1