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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C19H22ClN3O3S/c20-18-4-2-15(27-18)11-22-5-7-23(8-6-22)12-19(24)21-10-14-1-3-16-17(9-14)26-13-25-16/h1-4,9H,5-8,10-13H2,(H,21,24)/p+1