1,3-dimethyl-6-[2-(3-nitrophenoxy)-4-propyl-4-pyridin-3-ylcarbonyl-piperazin-4-ium-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[2-(3-nitrophenoxy)-4-propyl-4-pyridin-3-ylcarbonyl-piperazin-4-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[2-(3-nitrophenoxy)-4-propyl-4-(pyridine-3-carbonyl)piperazin-4-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[2-(3-nitrophenoxy)-4-[oxo(3-pyridinyl)methyl]-4-propyl-1-piperazin-4-iumyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[2-(3-nitrophenoxy)-4-propyl-4-(pyridine-3-carbonyl)piperazin-4-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-nicotinoyl-2-(3-nitrophenoxy)-4-propyl-piperazin-4-ium-1-yl]pyrimidine-2,4-quinone Formula: C25H29N6O6+ MolecularWeight: 509.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCN(C(C1)OC2=CC=CC(=C2)[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C)C(=O)C4=CN=CC=C4

Isomeric SMILES

CCC[N+]1(CCN(C(C1)OC2=CC=CC(=C2)[N+](=O)[O-])C3=CC(=O)N(C(=O)N3C)C)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H29N6O6/c1-4-12-31(24(33)18-7-6-10-26-16-18)13-11-29(21-15-22(32)28(3)25(34)27(21)2)23(17-31)37-20-9-5-8-19(14-20)30(35)36/h5-10,14-16,23H,4,11-13,17H2,1-3H3/q+1