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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[4-(cyanomethyl)anilino]-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H17N3OS/c1-19(11-15-3-2-10-21-15)12-16(20)18-14-6-4-13(5-7-14)8-9-17/h2-7,10H,8,11-12H2,1H3,(H,18,20)/p+1