2,4-dinitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]aniline

Systemtic Name: 2,4-dinitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]aniline Openeye Name: 2,4-dinitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]aniline CAS Name: 2,4-dinitro-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]aniline IUPAC Name: 2,4-dinitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]aniline Traditional Name: (2,4-dinitrophenyl)-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C17H22N7O4+ MolecularWeight: 388.40108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C17H21N7O4/c25-23(26)14-3-4-15(16(13-14)24(27)28)18-7-2-8-21-9-11-22(12-10-21)17-19-5-1-6-20-17/h1,3-6,13,18H,2,7-12H2/p+1