[(1S)-1-[4-(2,3,5-trimethylphenoxy)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-(2,3,5-trimethylphenoxy)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-(2,3,5-trimethylphenoxy)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-(2,3,5-trimethylphenoxy)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(2,3,5-trimethylphenoxy)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-(2,3,5-trimethylphenoxy)phenyl]ethyl]ammonium Formula: C17H22NO+ MolecularWeight: 256.36268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)C(C)[NH3+])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)[C@H](C)[NH3+])C)C

InChI

InChI=1S/C17H21NO/c1-11-9-12(2)13(3)17(10-11)19-16-7-5-15(6-8-16)14(4)18/h5-10,14H,18H2,1-4H3/p+1/t14-/m0/s1