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

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

CC(C[N+]1(CCN(CC1)C2=CC(=O)N(C(=O)N2C)C)C(=O)C3=CN=CC=C3)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C[N+]1(CCN(CC1)C2=CC(=O)N(C(=O)N2C)C)C(=O)C3=CN=CC=C3)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N6O6/c1-18(37-21-8-4-7-20(14-21)30(35)36)17-31(24(33)19-6-5-9-26-16-19)12-10-29(11-13-31)22-15-23(32)28(3)25(34)27(22)2/h4-9,14-16,18H,10-13,17H2,1-3H3/q+1