(4-methyl-3,5-dinitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methyl-3,5-dinitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methyl-3,5-dinitro-phenyl)methanone CAS Name: (4-methyl-3,5-dinitrophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methyl-3,5-dinitrophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methyl-3,5-dinitro-phenyl)methanone Formula: C19H21N4O5+ MolecularWeight: 385.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5/c1-14-17(22(25)26)11-16(12-18(14)23(27)28)19(24)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3/p+1