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

Systemtic Name: 6-[4-(4-bromophenyl)carbonyl-2-(3-nitrophenoxy)-4-propyl-piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-(4-bromobenzoyl)-2-(3-nitrophenoxy)-4-propyl-piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[(4-bromophenyl)-oxomethyl]-2-(3-nitrophenoxy)-4-propyl-1-piperazin-4-iumyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-(4-bromobenzoyl)-2-(3-nitrophenoxy)-4-propylpiperazin-4-ium-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-(4-bromobenzoyl)-2-(3-nitrophenoxy)-4-propyl-piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C26H29BrN5O6+ MolecularWeight: 587.44236

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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=CC=C(C=C4)Br

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=CC=C(C=C4)Br

InChI

InChI=1S/C26H29BrN5O6/c1-4-13-32(25(34)18-8-10-19(27)11-9-18)14-12-30(22-16-23(33)29(3)26(35)28(22)2)24(17-32)38-21-7-5-6-20(15-21)31(36)37/h5-11,15-16,24H,4,12-14,17H2,1-3H3/q+1