[(2S)-2-azanyl-2-(3-fluoranyl-4-methoxy-phenyl)ethyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2S)-2-azanyl-2-(3-fluoranyl-4-methoxy-phenyl)ethyl]-methyl-propan-2-yl-azanium Openeye Name: [(2S)-2-amino-2-(3-fluoro-4-methoxy-phenyl)ethyl]-isopropyl-methyl-ammonium CAS Name: [(2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)ethyl]-methyl-propan-2-ylammonium IUPAC Name: [(2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)ethyl]-methyl-propan-2-ylazanium Traditional Name: [(2S)-2-amino-2-(3-fluoro-4-methoxy-phenyl)ethyl]-isopropyl-methyl-ammonium Formula: C13H22FN2O+ MolecularWeight: 241.324983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(C1=CC(=C(C=C1)OC)F)N

Isomeric SMILES

CC(C)[NH+](C)C[C@H](C1=CC(=C(C=C1)OC)F)N

InChI

InChI=1S/C13H21FN2O/c1-9(2)16(3)8-12(15)10-5-6-13(17-4)11(14)7-10/h5-7,9,12H,8,15H2,1-4H3/p+1/t12-/m1/s1