[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C16H17N3O2S/c1-19(8-9-21-14-5-3-2-4-6-14)12-15(20)18-16-13(11-17)7-10-22-16/h2-7,10H,8-9,12H2,1H3,(H,18,20)/p+1