[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dinitrophenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: (3,5-dinitrophenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H19N4O7+ MolecularWeight: 415.37676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O7/c24-19(14-8-15(22(25)26)10-16(9-14)23(27)28)21-5-3-20(4-6-21)11-13-1-2-17-18(7-13)30-12-29-17/h1-2,7-10H,3-6,11-12H2/p+1