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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3)C

InChI

InChI=1S/C22H30N4O2S/c1-16-13-17(2)25-22(24-16)29-15-21(27)23-14-20(26-11-5-4-6-12-26)18-7-9-19(28-3)10-8-18/h7-10,13,20H,4-6,11-12,14-15H2,1-3H3,(H,23,27)/p+1/t20-/m0/s1