2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H23N3O2S/c1-2-9-20-10-7-13(8-11-20)18-16(21)12-23-17-19-14-5-3-4-6-15(14)22-17/h3-6,13H,2,7-12H2,1H3,(H,18,21)/p+1