[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl]-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl]-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

InChI

InChI=1S/C22H27N3O2S/c1-23(2)19-10-8-18(9-11-19)14-24(3)22(26)17-25(15-20-6-4-12-27-20)16-21-7-5-13-28-21/h4-13H,14-17H2,1-3H3/p+1