5-(2-chlorophenyl)carbonyl-1,3-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)pyrimidine-2,4-dione

Systemtic Name: 5-(2-chlorophenyl)carbonyl-1,3-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)pyrimidine-2,4-dione Openeye Name: 5-(2-chlorobenzoyl)-1,3-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)pyrimidine-2,4-dione CAS Name: 5-[(2-chlorophenyl)-oxomethyl]-1,3-dimethyl-6-(1-pyrrolidin-1-iumylmethyl)pyrimidine-2,4-dione IUPAC Name: 5-(2-chlorobenzoyl)-1,3-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)pyrimidine-2,4-dione Traditional Name: 5-(2-chlorobenzoyl)-1,3-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)pyrimidine-2,4-quinone Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=CC=C2Cl)C[NH+]3CCCC3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=CC=C2Cl)C[NH+]3CCCC3

InChI

InChI=1S/C18H20ClN3O3/c1-20-14(11-22-9-5-6-10-22)15(17(24)21(2)18(20)25)16(23)12-7-3-4-8-13(12)19/h3-4,7-8H,5-6,9-11H2,1-2H3/p+1