2-ethylsulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 2-(ethylthio)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 2-(ethylthio)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C23H30N2O2S/c1-3-28-22-10-6-5-9-20(22)23(26)24-17-21(25-15-7-4-8-16-25)18-11-13-19(27-2)14-12-18/h5-6,9-14,21H,3-4,7-8,15-17H2,1-2H3,(H,24,26)/p+1/t21-/m0/s1