2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O3S/c26-23(17-29-20-8-9-21-22(14-20)28-13-12-27-21)24-15-18-4-6-19(7-5-18)16-25-10-2-1-3-11-25/h4-9,14H,1-3,10-13,15-17H2,(H,24,26)/p+1