2-(4-ethoxyphenyl)sulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]acetamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide Traditional Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-(p-phenetylthio)acetamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-2-27-19-8-10-20(11-9-19)28-17-22(25)23-21(18-6-4-3-5-7-18)16-24-12-14-26-15-13-24/h3-11,21H,2,12-17H2,1H3,(H,23,25)/p+1/t21-/m1/s1