[(1S)-2-[(3-chloranyl-2-cyano-phenyl)amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-2-cyano-phenyl)amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(3-chloro-2-cyano-anilino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-(3-chloro-2-cyanoanilino)-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-(3-chloro-2-cyanoanilino)-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(3-chloro-2-cyano-anilino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C17H19ClN3+ MolecularWeight: 300.80586

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C(=CC=C1)Cl)C#N)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C(=CC=C1)Cl)C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H18ClN3/c1-21(2)17(13-7-4-3-5-8-13)12-20-16-10-6-9-15(18)14(16)11-19/h3-10,17,20H,12H2,1-2H3/p+1/t17-/m1/s1