4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]amino]-1-methyl-N-(4-methylsulfanylphenyl)piperidin-1-ium-1-carboxamide

Systemtic Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]amino]-1-methyl-N-(4-methylsulfanylphenyl)piperidin-1-ium-1-carboxamide Openeye Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]amino]-1-methyl-N-(4-methylsulfanylphenyl)piperidin-1-ium-1-carboxamide CAS Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]-1-methyl-N-[4-(methylthio)phenyl]-1-piperidin-1-iumcarboxamide IUPAC Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]-1-methyl-N-(4-methylsulfanylphenyl)piperidin-1-ium-1-carboxamide Traditional Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]amino]-1-methyl-N-[4-(methylthio)phenyl]piperidin-1-ium-1-carboxamide Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NCC(C2COC3=CC=CC=C3O2)O)C(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

C[N+]1(CCC(CC1)NCC(C2COC3=CC=CC=C3O2)O)C(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H31N3O4S/c1-27(24(29)26-18-7-9-19(32-2)10-8-18)13-11-17(12-14-27)25-15-20(28)23-16-30-21-5-3-4-6-22(21)31-23/h3-10,17,20,23,25,28H,11-16H2,1-2H3/p+1