N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-thienylmethyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-thenyl)acetamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N3O4S/c1-16(25)23-8-6-22(7-9-23)15-21(26)24(14-18-3-2-12-29-18)17-4-5-19-20(13-17)28-11-10-27-19/h2-5,12-13H,6-11,14-15H2,1H3/p+1