2-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C15H18N5O2+ MolecularWeight: 300.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C15H17N5O2/c21-20(22)14-4-1-3-13(11-14)12-18-7-9-19(10-8-18)15-16-5-2-6-17-15/h1-6,11H,7-10,12H2/p+1