[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-[(1S)-1-(1-naphthyl)ethyl]ammonium CAS Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(1S)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium Traditional Name: [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]-[(1S)-1-(1-naphthyl)ethyl]ammonium Formula: C21H19ClN3O+ MolecularWeight: 364.84806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)[NH2+]CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)[NH2+]CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C21H18ClN3O/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)24-13-21(26)25-20-11-17(22)10-9-16(20)12-23/h2-11,14,24H,13H2,1H3,(H,25,26)/p+1/t14-/m0/s1