[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-isopropylpiperazin-4-ium-1-yl)-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone CAS Name: [1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-isopropylpiperazin-4-ium-1-yl)-[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]methanone Formula: C23H29N6O2+ MolecularWeight: 421.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)N4CC[NH+](CC4)C(C)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3OC)C(=O)N4CC[NH+](CC4)C(C)C

InChI

InChI=1S/C23H28N6O2/c1-16(2)27-11-13-28(14-12-27)22(30)19-15-25-29(17(19)3)23-24-10-9-20(26-23)18-7-5-6-8-21(18)31-4/h5-10,15-16H,11-14H2,1-4H3/p+1