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

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C24H31N3O3S/c1-18(28)26-20-8-12-22(13-9-20)31-17-24(29)25-16-23(27-14-4-3-5-15-27)19-6-10-21(30-2)11-7-19/h6-13,23H,3-5,14-17H2,1-2H3,(H,25,29)(H,26,28)/p+1/t23-/m0/s1