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

Systemtic Name: [(S)-cyano-(4-methoxyphenyl)methyl]-methyl-[(1R,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: [(S)-cyano-(4-methoxyphenyl)methyl]-[(1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium CAS Name: [(S)-cyano-(4-methoxyphenyl)methyl]-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium IUPAC Name: [(S)-cyano-(4-methoxyphenyl)methyl]-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium Traditional Name: [(S)-cyano-(4-methoxyphenyl)methyl]-[(1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium Formula: C19H23N2O2+ MolecularWeight: 311.39812

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c1-14(19(22)16-7-5-4-6-8-16)21(2)18(13-20)15-9-11-17(23-3)12-10-15/h4-12,14,18-19,22H,1-3H3/p+1/t14-,18-,19+/m1/s1