6-[3-[4-(2-methoxyphenyl)-1-oxidanidyl-piperazin-1-ium-1-yl]propylamino]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[3-[4-(2-methoxyphenyl)-1-oxidanidyl-piperazin-1-ium-1-yl]propylamino]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[3-[4-(2-methoxyphenyl)-1-oxido-piperazin-1-ium-1-yl]propylamino]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[3-[4-(2-methoxyphenyl)-1-oxido-1-piperazin-1-iumyl]propylamino]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[3-[4-(2-methoxyphenyl)-1-oxidopiperazin-1-ium-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[3-[4-(2-methoxyphenyl)-1-oxido-piperazin-1-ium-1-yl]propylamino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCC[N+]2(CCN(CC2)C3=CC=CC=C3OC)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCC[N+]2(CCN(CC2)C3=CC=CC=C3OC)[O-]

InChI

InChI=1S/C20H29N5O4/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-12-25(28)13-10-24(11-14-25)16-7-4-5-8-17(16)29-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3