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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c20-14-2-1-3-16(10-14)23-8-6-22(7-9-23)12-19(24)21-15-4-5-17-18(11-15)26-13-25-17/h1-5,10-11H,6-9,12-13H2,(H,21,24)/p+1