N-(3-morpholin-4-ium-4-ylpropyl)-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 2-(benzylthio)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c24-21(22-11-6-12-23-13-15-25-16-14-23)19-9-4-5-10-20(19)26-17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,22,24)/p+1