N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)-2,3,4-trimethoxy-benzamide

Systemtic Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)-2,3,4-trimethoxy-benzamide Openeye Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(2-furylmethyl)-2,3,4-trimethoxy-benzamide CAS Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolin-1-iumyl]methyl]-N-(2-furanylmethyl)-2,3,4-trimethoxybenzamide IUPAC Name: N-[[2-(dimethylamino)-7-methylsulfanylquinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)-2,3,4-trimethoxybenzamide Traditional Name: N-[[2-(dimethylamino)-7-(methylthio)quinolin-1-ium-3-yl]methyl]-N-(2-furfuryl)-2,3,4-trimethoxy-benzamide Formula: C28H32N3O5S+ MolecularWeight: 522.63578

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C=CC(=CC2=[NH+]1)SC)CN(CC3=CC=CO3)C(=O)C4=C(C(=C(C=C4)OC)OC)OC

Isomeric SMILES

CN(C)C1=C(C=C2C=CC(=CC2=[NH+]1)SC)CN(CC3=CC=CO3)C(=O)C4=C(C(=C(C=C4)OC)OC)OC

InChI

InChI=1S/C28H31N3O5S/c1-30(2)27-19(14-18-9-10-21(37-6)15-23(18)29-27)16-31(17-20-8-7-13-36-20)28(32)22-11-12-24(33-3)26(35-5)25(22)34-4/h7-15H,16-17H2,1-6H3/p+1