[(S)-cyano-(4-dimethylaminophenyl)methyl]-methyl-[(1R,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: [(S)-cyano-(4-dimethylaminophenyl)methyl]-methyl-[(1R,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: [(S)-cyano-(4-dimethylaminophenyl)methyl]-[(1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium CAS Name: [(S)-cyano-(4-dimethylaminophenyl)methyl]-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium IUPAC Name: [(S)-cyano-(4-dimethylaminophenyl)methyl]-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium Traditional Name: [(S)-cyano-(4-dimethylaminophenyl)methyl]-[(1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH+](C)C(C#N)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1)O)[NH+](C)[C@H](C#N)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H25N3O/c1-15(20(24)17-8-6-5-7-9-17)23(4)19(14-21)16-10-12-18(13-11-16)22(2)3/h5-13,15,19-20,24H,1-4H3/p+1/t15-,19-,20+/m1/s1