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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22ClN4O4+ MolecularWeight: 417.86608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4O4/c21-14-2-1-3-16(10-14)25-8-6-24(7-9-25)12-19(26)23-20(27)22-15-4-5-17-18(11-15)29-13-28-17/h1-5,10-11H,6-9,12-13H2,(H2,22,23,26,27)/p+1