N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H32N6O+2 MolecularWeight: 396.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O/c29-21(18-27-13-15-28(16-14-27)22-23-9-4-10-24-22)25-20-7-11-26(12-8-20)17-19-5-2-1-3-6-19/h1-6,9-10,20H,7-8,11-18H2,(H,25,29)/p+2