2,4-dinitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]aniline

Systemtic Name: 2,4-dinitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]aniline Openeye Name: 2,4-dinitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]aniline CAS Name: 2,4-dinitro-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]aniline IUPAC Name: 2,4-dinitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]aniline Traditional Name: (2,4-dinitrophenyl)-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]amine Formula: C18H22N5O4+ MolecularWeight: 372.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O4/c24-22(25)16-6-7-17(18(14-16)23(26)27)19-8-9-20-10-12-21(13-11-20)15-4-2-1-3-5-15/h1-7,14,19H,8-13H2/p+1