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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C13H14N3O2S+ MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C13H13N3O2S/c1-16(8-11-3-2-5-18-11)9-12(17)15-13-10(7-14)4-6-19-13/h2-6H,8-9H2,1H3,(H,15,17)/p+1