2-[4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[5-(2-nitrophenyl)-2-furanyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C19H19N5O3/c25-24(26)17-5-2-1-4-16(17)18-7-6-15(27-18)14-22-10-12-23(13-11-22)19-20-8-3-9-21-19/h1-9H,10-14H2/p+1