2-propan-2-ylsulfanyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-propan-2-ylsulfanyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-isopropylsulfanyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(propan-2-ylthio)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-propan-2-ylsulfanyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(isopropylthio)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]acetamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NCC1=C[NH+]=C(C=C1)N2CCCC2

Isomeric SMILES

CC(C)SCC(=O)NCC1=C[NH+]=C(C=C1)N2CCCC2

InChI

InChI=1S/C15H23N3OS/c1-12(2)20-11-15(19)17-10-13-5-6-14(16-9-13)18-7-3-4-8-18/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,17,19)/p+1