[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]ethyl]-methyl-(3-thenyl)ammonium Formula: C21H21N2O3S+ MolecularWeight: 381.46804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC

InChI

InChI=1S/C21H20N2O3S/c1-23(11-14-7-8-27-13-14)12-21(24)22-17-10-19-16(9-20(17)25-2)15-5-3-4-6-18(15)26-19/h3-10,13H,11-12H2,1-2H3,(H,22,24)/p+1