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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H21N3OS/c1-25(15-17-10-11-18-6-2-3-7-19(18)14-17)16-22(26)24-20-8-4-5-9-21(20)27-13-12-23/h2-11,14H,13,15-16H2,1H3,(H,24,26)/p+1