1,3-dimethyl-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[(4-phenethyl-1-piperidin-1-iumyl)methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[(4-phenethylpiperidin-1-ium-1-yl)methyl]pyrimidine-2,4-quinone Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2/c1-21-18(14-19(24)22(2)20(21)25)15-23-12-10-17(11-13-23)9-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13,15H2,1-2H3/p+1