3-chloranyl-N-(furan-2-ylmethyl)-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 3-chloranyl-N-(furan-2-ylmethyl)-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]benzamide Openeye Name: 3-chloro-N-(2-furylmethyl)-N-[[2-(4-hydroxy-1-piperidyl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]benzamide CAS Name: 3-chloro-N-(2-furanylmethyl)-N-[[2-(4-hydroxy-1-piperidinyl)-7-(methylthio)-3-quinolin-1-iumyl]methyl]benzamide IUPAC Name: 3-chloro-N-(furan-2-ylmethyl)-N-[[2-(4-hydroxypiperidin-1-yl)-7-methylsulfanylquinolin-1-ium-3-yl]methyl]benzamide Traditional Name: 3-chloro-N-(2-furfuryl)-N-[[2-(4-hydroxypiperidino)-7-(methylthio)quinolin-1-ium-3-yl]methyl]benzamide Formula: C28H29ClN3O3S+ MolecularWeight: 523.06616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)Cl)N5CCC(CC5)O

Isomeric SMILES

CSC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4=CC(=CC=C4)Cl)N5CCC(CC5)O

InChI

InChI=1S/C28H28ClN3O3S/c1-36-25-8-7-19-14-21(27(30-26(19)16-25)31-11-9-23(33)10-12-31)17-32(18-24-6-3-13-35-24)28(34)20-4-2-5-22(29)15-20/h2-8,13-16,23,33H,9-12,17-18H2,1H3/p+1