5-nitro-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 5-nitro-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitropyrimidine Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine Formula: C15H18N5O2+ MolecularWeight: 300.33572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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