2-(3,4-dimethoxyphenyl)-3,5-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3,5-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2-(3,4-dimethoxyphenyl)-3,5-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 2-(3,4-dimethoxyphenyl)-3,5-dimethyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 2-(3,4-dimethoxyphenyl)-3,5-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2-(3,4-dimethoxyphenyl)-3,5-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C25H29N6O2+ MolecularWeight: 445.53676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC(=C(C=C5)OC)OC)C

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC(=C(C=C5)OC)OC)C

InChI

InChI=1S/C25H28N6O2/c1-17-15-23(30-13-11-29(12-14-30)22-7-5-6-10-26-22)31-25(27-17)18(2)24(28-31)19-8-9-20(32-3)21(16-19)33-4/h5-10,15-16H,11-14H2,1-4H3/p+1