1-(1,3-benzodioxol-5-yl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C20H22N3O5+ MolecularWeight: 384.40578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c24-18(15-1-6-19-20(13-15)28-14-27-19)7-8-21-9-11-22(12-10-21)16-2-4-17(5-3-16)23(25)26/h1-6,13H,7-12,14H2/p+1