2-chloranyl-N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-5-(methylthio)benzamide Formula: C19H30ClN2O2S+ MolecularWeight: 385.9717

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C1=C(C=CC(=C1)SC)Cl)[NH+]2CCOCC2

Isomeric SMILES

CCC(CC)[C@H](CNC(=O)C1=C(C=CC(=C1)SC)Cl)[NH+]2CCOCC2

InChI

InChI=1S/C19H29ClN2O2S/c1-4-14(5-2)18(22-8-10-24-11-9-22)13-21-19(23)16-12-15(25-3)6-7-17(16)20/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3,(H,21,23)/p+1/t18-/m0/s1