6-azanyl-1,3-dimethyl-5-[(2S)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[(2S)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[(2S)-2-(4-benzoylpiperidin-1-ium-1-yl)propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[(2S)-2-(4-benzoyl-1-piperidin-1-iumyl)-1-oxopropyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[(2S)-2-(4-benzoylpiperidin-1-ium-1-yl)propanoyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[(2S)-2-(4-benzoylpiperidin-1-ium-1-yl)propanoyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-13(17(26)16-19(22)23(2)21(29)24(3)20(16)28)25-11-9-15(10-12-25)18(27)14-7-5-4-6-8-14/h4-8,13,15H,9-12,22H2,1-3H3/p+1/t13-/m0/s1