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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C15H16N3OS+ MolecularWeight: 286.37204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C15H15N3OS/c1-18(10-12-5-3-2-4-6-12)11-14(19)17-15-13(9-16)7-8-20-15/h2-8H,10-11H2,1H3,(H,17,19)/p+1