N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C16H21N3O3S/c1-18(2)11-14-5-6-15(22-14)12-23-9-7-17-16(20)13-4-3-8-19(21)10-13/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,17,20)