N-methyl-5-(methylsulfanylmethyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-2-carboxamide

Systemtic Name: N-methyl-5-(methylsulfanylmethyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-2-carboxamide Openeye Name: N-methyl-5-(methylsulfanylmethyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-2-carboxamide CAS Name: N-methyl-5-[(methylthio)methyl]-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-furancarboxamide IUPAC Name: N-methyl-5-(methylsulfanylmethyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-2-carboxamide Traditional Name: N-methyl-5-[(methylthio)methyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-furamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=C(O3)CSC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=C(O3)CSC

InChI

InChI=1S/C21H28N2O2S/c1-22(21(24)20-11-10-19(25-20)16-26-2)18-9-6-13-23(15-18)14-12-17-7-4-3-5-8-17/h3-5,7-8,10-11,18H,6,9,12-16H2,1-2H3/p+1/t18-/m0/s1