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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[4-(cyanomethyl)anilino]-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3OS/c1-2-20(12-16-4-3-11-22-16)13-17(21)19-15-7-5-14(6-8-15)9-10-18/h3-8,11H,2,9,12-13H2,1H3,(H,19,21)/p+1