[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [2-[4-(cyanomethyl)anilino]-2-keto-ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C22H22N3O+ MolecularWeight: 344.42958

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O/c1-25(15-18-6-9-19-4-2-3-5-20(19)14-18)16-22(26)24-21-10-7-17(8-11-21)12-13-23/h2-11,14H,12,15-16H2,1H3,(H,24,26)/p+1