2-(4-ethoxyphenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-2-(p-phenetylthio)acetamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H30N2O2S/c1-2-27-21-10-12-22(13-11-21)28-18-23(26)24-16-19-6-8-20(9-7-19)17-25-14-4-3-5-15-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)/p+1