5-[3-[1-(3-piperidin-1-ium-1-ylpropyl)pyrazol-3-yl]phenyl]pyrimidine

Systemtic Name: 5-[3-[1-(3-piperidin-1-ium-1-ylpropyl)pyrazol-3-yl]phenyl]pyrimidine Openeye Name: 5-[3-[1-(3-piperidin-1-ium-1-ylpropyl)pyrazol-3-yl]phenyl]pyrimidine CAS Name: 5-[3-[1-[3-(1-piperidin-1-iumyl)propyl]-3-pyrazolyl]phenyl]pyrimidine IUPAC Name: 5-[3-[1-(3-piperidin-1-ium-1-ylpropyl)pyrazol-3-yl]phenyl]pyrimidine Traditional Name: 5-[3-[1-(3-piperidin-1-ium-1-ylpropyl)pyrazol-3-yl]phenyl]pyrimidine Formula: C21H26N5+ MolecularWeight: 348.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C=CC(=N2)C3=CC=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C=CC(=N2)C3=CC=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C21H25N5/c1-2-9-25(10-3-1)11-5-12-26-13-8-21(24-26)19-7-4-6-18(14-19)20-15-22-17-23-16-20/h4,6-8,13-17H,1-3,5,9-12H2/p+1