2-ethyl-N-[(2S)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 2-ethyl-N-[(2S)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 2-ethyl-N-[(2S)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]butanamide CAS Name: 2-ethyl-N-[(2S)-2-[3-(4-thiomorpholin-4-iumylmethyl)phenoxy]propyl]butanamide IUPAC Name: 2-ethyl-N-[(2S)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 2-ethyl-N-[(2S)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]butyramide Formula: C20H33N2O2S+ MolecularWeight: 365.55322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCC(C)OC1=CC=CC(=C1)C[NH+]2CCSCC2

Isomeric SMILES

CCC(CC)C(=O)NC[C@H](C)OC1=CC=CC(=C1)C[NH+]2CCSCC2

InChI

InChI=1S/C20H32N2O2S/c1-4-18(5-2)20(23)21-14-16(3)24-19-8-6-7-17(13-19)15-22-9-11-25-12-10-22/h6-8,13,16,18H,4-5,9-12,14-15H2,1-3H3,(H,21,23)/p+1/t16-/m0/s1