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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C18H21ClN3O3S+ MolecularWeight: 394.89564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C18H20ClN3O3S/c19-17-4-2-14(26-17)10-21-5-7-22(8-6-21)11-18(23)20-13-1-3-15-16(9-13)25-12-24-15/h1-4,9H,5-8,10-12H2,(H,20,23)/p+1