2-phenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-3-olate

Systemtic Name: 2-phenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-3-olate Openeye Name: 2-phenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-3-olate CAS Name: 2-phenyl-4,6-bis(1-piperidin-1-iumylmethyl)-3-pyridinolate IUPAC Name: 2-phenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-3-olate Traditional Name: 2-phenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-3-olate Formula: C23H32N3O+ MolecularWeight: 366.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=NC(=C2[O-])C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=NC(=C2[O-])C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C23H31N3O/c27-23-20(17-25-12-6-2-7-13-25)16-21(18-26-14-8-3-9-15-26)24-22(23)19-10-4-1-5-11-19/h1,4-5,10-11,16,27H,2-3,6-9,12-15,17-18H2/p+1