6-azanyl-5-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoyl]-1-methyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoyl]-1-methyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]-1-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]-1-methylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]-1-methylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(2,5-dimethoxybenzyl)piperazin-1-ium-1-yl]acetyl]-1-methyl-pyrimidine-2,4-quinone Formula: C20H28N5O5+ MolecularWeight: 418.46682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)N

InChI

InChI=1S/C20H27N5O5/c1-23-18(21)17(19(27)22-20(23)28)15(26)12-25-8-6-24(7-9-25)11-13-10-14(29-2)4-5-16(13)30-3/h4-5,10H,6-9,11-12,21H2,1-3H3,(H,22,27,28)/p+1