[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C21H19ClN3O+ MolecularWeight: 364.84806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

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