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

Systemtic Name: (3,5-dinitrophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dinitrophenyl)methanone CAS Name: (3,5-dinitrophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dinitrophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dinitrophenyl)methanone Formula: C18H19N4O5+ MolecularWeight: 371.36726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5/c23-18(15-10-16(21(24)25)12-17(11-15)22(26)27)20-8-6-19(7-9-20)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2/p+1