6-azanyl-5-[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[(2R)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H28N5O4+ MolecularWeight: 402.46742

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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+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[C@H](C(=O)C1=C(N(C(=O)N(C1=O)C)C)N)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H27N5O4/c1-13(17(26)16-18(21)22(2)20(28)23(3)19(16)27)24-9-11-25(12-10-24)14-7-5-6-8-15(14)29-4/h5-8,13H,9-12,21H2,1-4H3/p+1/t13-/m1/s1