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

Systemtic Name: 6-azanyl-5-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[4-(2,5-dimethoxybenzyl)piperazin-1-ium-1-yl]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C22H32N5O5+ MolecularWeight: 446.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)N

InChI

InChI=1S/C22H31N5O5/c1-4-7-27-20(23)19(21(29)24-22(27)30)17(28)14-26-10-8-25(9-11-26)13-15-12-16(31-2)5-6-18(15)32-3/h5-6,12H,4,7-11,13-14,23H2,1-3H3,(H,24,29,30)/p+1