[1-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperidin-4-yl]azanium Openeye Name: [1-[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]-4-piperidyl]ammonium CAS Name: [1-[1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]-4-piperidinyl]ammonium IUPAC Name: [1-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]piperidin-4-yl]azanium Traditional Name: [1-[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]-4-piperidyl]ammonium Formula: C16H27N5O+2 MolecularWeight: 305.41848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH3+])C(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCC1[NH3+])C(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C16H25N5O/c17-14-4-7-21(8-5-14)16(22)13-19-9-11-20(12-10-19)15-3-1-2-6-18-15/h1-3,6,14H,4-5,7-13,17H2/p+2