[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2,5-dimethoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C24H31N6O3+ MolecularWeight: 451.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(C=CC(=C4)OC)OC)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(C=CC(=C4)OC)OC)C

InChI

InChI=1S/C24H30N6O3/c1-5-10-28-11-13-29(14-12-28)23(31)20-16-26-30(17(20)2)24-25-9-8-21(27-24)19-15-18(32-3)6-7-22(19)33-4/h6-9,15-16H,5,10-14H2,1-4H3/p+1