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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C19H22ClN4O4S+ MolecularWeight: 437.92038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O4S/c20-17-4-2-14(29-17)10-23-5-7-24(8-6-23)11-18(25)22-19(26)21-13-1-3-15-16(9-13)28-12-27-15/h1-4,9H,5-8,10-12H2,(H2,21,22,25,26)/p+1