[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)azanium Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(2-furanylmethyl)ammonium IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[2-keto-2-(veratrylamino)ethyl]ammonium Formula: C16H21N2O4+ MolecularWeight: 305.34894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C[NH2+]CC2=CC=CO2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[NH2+]CC2=CC=CO2)OC

InChI

InChI=1S/C16H20N2O4/c1-20-14-6-5-12(8-15(14)21-2)9-18-16(19)11-17-10-13-4-3-7-22-13/h3-8,17H,9-11H2,1-2H3,(H,18,19)/p+1