3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-piperidin-1-ium-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-piperidin-1-ium-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-piperidin-1-ium-1-yl-1-piperidyl)pyrazolo[1,5-a]pyrimidine CAS Name: 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(1-piperidin-1-iumyl)-1-piperidinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-piperidin-1-ium-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-piperidin-1-ium-1-ylpiperidino)pyrazolo[1,5-a]pyrimidine Formula: C25H34N5O+ MolecularWeight: 420.57036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CCC(CC3)[NH+]4CCCCC4)C)C5=CC=CC=C5OC

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCC(CC3)[NH+]4CCCCC4)C)C5=CC=CC=C5OC

InChI

InChI=1S/C25H33N5O/c1-18-17-23(29-15-11-20(12-16-29)28-13-7-4-8-14-28)30-25(26-18)24(19(2)27-30)21-9-5-6-10-22(21)31-3/h5-6,9-10,17,20H,4,7-8,11-16H2,1-3H3/p+1