6-azanyl-5-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3)N

InChI

InChI=1S/C20H24N4O3/c1-2-10-24-18(21)17(19(26)22-20(24)27)16(25)13-23-11-8-15(9-12-23)14-6-4-3-5-7-14/h3-8H,2,9-13,21H2,1H3,(H,22,26,27)/p+1