6-[2-(4-ethanoylphenoxy)ethyl]-1,3-dimethyl-1-(propan-2-ylamino)-5-propyl-pyrimidin-1-ium-2,4-dione

Systemtic Name: 6-[2-(4-ethanoylphenoxy)ethyl]-1,3-dimethyl-1-(propan-2-ylamino)-5-propyl-pyrimidin-1-ium-2,4-dione Openeye Name: 6-[2-(4-acetylphenoxy)ethyl]-1-(isopropylamino)-1,3-dimethyl-5-propyl-pyrimidin-1-ium-2,4-dione CAS Name: 6-[2-(4-acetylphenoxy)ethyl]-1,3-dimethyl-1-(propan-2-ylamino)-5-propylpyrimidin-1-ium-2,4-dione IUPAC Name: 6-[2-(4-acetylphenoxy)ethyl]-1,3-dimethyl-1-(propan-2-ylamino)-5-propylpyrimidin-1-ium-2,4-dione Traditional Name: 6-[2-(4-acetylphenoxy)ethyl]-1-(isopropylamino)-1,3-dimethyl-5-propyl-pyrimidin-1-ium-2,4-quinone Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([N+](C(=O)N(C1=O)C)(C)NC(C)C)CCOC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCC1=C([N+](C(=O)N(C1=O)C)(C)NC(C)C)CCOC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C22H32N3O4/c1-7-8-19-20(13-14-29-18-11-9-17(10-12-18)16(4)26)25(6,23-15(2)3)22(28)24(5)21(19)27/h9-12,15,23H,7-8,13-14H2,1-6H3/q+1