3-(4-chloranyl-2-ethanoyl-phenoxy)-1-(ethylamino)-1,3-dimethyl-5,6-dipropyl-pyrimidine-1,3-diium-2,4-dione

Systemtic Name: 3-(4-chloranyl-2-ethanoyl-phenoxy)-1-(ethylamino)-1,3-dimethyl-5,6-dipropyl-pyrimidine-1,3-diium-2,4-dione Openeye Name: 3-(2-acetyl-4-chloro-phenoxy)-1-(ethylamino)-1,3-dimethyl-5,6-dipropyl-pyrimidine-1,3-diium-2,4-dione CAS Name: 3-(2-acetyl-4-chlorophenoxy)-1-(ethylamino)-1,3-dimethyl-5,6-dipropylpyrimidine-1,3-diium-2,4-dione IUPAC Name: 3-(2-acetyl-4-chlorophenoxy)-1-(ethylamino)-1,3-dimethyl-5,6-dipropylpyrimidine-1,3-diium-2,4-dione Traditional Name: 3-(2-acetyl-4-chloro-phenoxy)-1-(ethylamino)-1,3-dimethyl-5,6-dipropyl-pyrimidine-1,3-diium-2,4-quinone Formula: C22H32ClN3O4+2 MolecularWeight: 437.96018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([N+](C(=O)[N+](C1=O)(C)OC2=C(C=C(C=C2)Cl)C(=O)C)(C)NCC)CCC

Isomeric SMILES

CCCC1=C([N+](C(=O)[N+](C1=O)(C)OC2=C(C=C(C=C2)Cl)C(=O)C)(C)NCC)CCC

InChI

InChI=1S/C22H32ClN3O4/c1-7-10-17-19(11-8-2)25(5,24-9-3)22(29)26(6,21(17)28)30-20-13-12-16(23)14-18(20)15(4)27/h12-14,24H,7-11H2,1-6H3/q+2