[(1S)-1-[4-[(3,5-dimethylphenyl)carbamoyl]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-[(3,5-dimethylphenyl)carbamoyl]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-[(3,5-dimethylphenyl)carbamoyl]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-[(3,5-dimethylanilino)-oxomethyl]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-[(3,5-dimethylphenyl)carbamoyl]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-[(3,5-dimethylphenyl)carbamoyl]phenyl]ethyl]ammonium Formula: C17H21N2O+ MolecularWeight: 269.36144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O/c1-11-8-12(2)10-16(9-11)19-17(20)15-6-4-14(5-7-15)13(3)18/h4-10,13H,18H2,1-3H3,(H,19,20)/p+1/t13-/m0/s1