N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C

InChI

InChI=1S/C23H32N4O2S/c1-16-17(2)25-23(26-18(16)3)30-15-22(28)24-14-21(27-12-6-5-7-13-27)19-8-10-20(29-4)11-9-19/h8-11,21H,5-7,12-15H2,1-4H3,(H,24,28)/p+1/t21-/m0/s1