1-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(2-methylsulfanylacetyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[2-(methylthio)-1-oxoethyl]-4-piperidinyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[2-(methylthio)acetyl]-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CSCC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2S/c1-28-17-21(26)25-15-10-20(11-16-25)24-13-8-19(9-14-24)22(27)23-12-7-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3,(H,23,27)/p+1