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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H21N4O5+ MolecularWeight: 385.39384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5/c24-19(20-14-1-6-17-18(11-14)28-13-27-17)12-21-7-9-22(10-8-21)15-2-4-16(5-3-15)23(25)26/h1-6,11H,7-10,12-13H2,(H,20,24)/p+1