3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-[4-(2,5-dimethoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)N(C)CCC[NH+](C)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)N(C)CCC[NH+](C)C

InChI

InChI=1S/C23H30N6O3/c1-16-19(22(30)28(4)13-7-12-27(2)3)15-25-29(16)23-24-11-10-20(26-23)18-14-17(31-5)8-9-21(18)32-6/h8-11,14-15H,7,12-13H2,1-6H3/p+1