N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)propanamide

Systemtic Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)propanamide Openeye Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(2-furylmethyl)propanamide CAS Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolin-1-iumyl]methyl]-N-(2-furanylmethyl)propanamide IUPAC Name: N-[[2-(dimethylamino)-7-methylsulfanylquinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)propanamide Traditional Name: N-[[2-(dimethylamino)-7-(methylthio)quinolin-1-ium-3-yl]methyl]-N-(2-furfuryl)propionamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC=CO1)CC2=C([NH+]=C3C=C(C=CC3=C2)SC)N(C)C

Isomeric SMILES

CCC(=O)N(CC1=CC=CO1)CC2=C([NH+]=C3C=C(C=CC3=C2)SC)N(C)C

InChI

InChI=1S/C21H25N3O2S/c1-5-20(25)24(14-17-7-6-10-26-17)13-16-11-15-8-9-18(27-4)12-19(15)22-21(16)23(2)3/h6-12H,5,13-14H2,1-4H3/p+1