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

Systemtic Name: 6-[4-(2-chlorophenyl)carbonyl-2-(3-nitrophenoxy)-4-propyl-piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-(2-chlorobenzoyl)-2-(3-nitrophenoxy)-4-propyl-piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[(2-chlorophenyl)-oxomethyl]-2-(3-nitrophenoxy)-4-propyl-1-piperazin-4-iumyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-(2-chlorobenzoyl)-2-(3-nitrophenoxy)-4-propylpiperazin-4-ium-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-(2-chlorobenzoyl)-2-(3-nitrophenoxy)-4-propyl-piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C26H29ClN5O6+ MolecularWeight: 542.99136

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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=CC=C4Cl

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=CC=C4Cl

InChI

InChI=1S/C26H29ClN5O6/c1-4-13-32(25(34)20-10-5-6-11-21(20)27)14-12-30(22-16-23(33)29(3)26(35)28(22)2)24(17-32)38-19-9-7-8-18(15-19)31(36)37/h5-11,15-16,24H,4,12-14,17H2,1-3H3/q+1