2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(4-piperonylpiperazin-1-ium-1-yl)-N-(2-thenyl)acetamide Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CS2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CS2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N3O3S/c23-19(20-11-16-2-1-9-26-16)13-22-7-5-21(6-8-22)12-15-3-4-17-18(10-15)25-14-24-17/h1-4,9-10H,5-8,11-14H2,(H,20,23)/p+1