[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(phenylmethyl)azanium

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-cyanoanilino)-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: [2-(4-cyanoanilino)-2-oxoethyl]-(2-furanylmethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(4-cyanoanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium Traditional Name: benzyl-[2-(4-cyanoanilino)-2-keto-ethyl]-(2-furfuryl)ammonium Formula: C21H20N3O2+ MolecularWeight: 346.4024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CO2)CC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CO2)CC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O2/c22-13-17-8-10-19(11-9-17)23-21(25)16-24(15-20-7-4-12-26-20)14-18-5-2-1-3-6-18/h1-12H,14-16H2,(H,23,25)/p+1