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

Systemtic Name: 4,6-bis(piperidin-1-ium-1-ylmethyl)-2-(4-propan-2-ylphenyl)pyridin-3-olate Openeye Name: 2-(4-isopropylphenyl)-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-3-olate CAS Name: 4,6-bis(1-piperidin-1-iumylmethyl)-2-(4-propan-2-ylphenyl)-3-pyridinolate IUPAC Name: 4,6-bis(piperidin-1-ium-1-ylmethyl)-2-(4-propan-2-ylphenyl)pyridin-3-olate Traditional Name: 2-p-cumenyl-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-3-olate Formula: C26H38N3O+ MolecularWeight: 408.59942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=CC(=N2)C[NH+]3CCCCC3)C[NH+]4CCCCC4)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=CC(=N2)C[NH+]3CCCCC3)C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C26H37N3O/c1-20(2)21-9-11-22(12-10-21)25-26(30)23(18-28-13-5-3-6-14-28)17-24(27-25)19-29-15-7-4-8-16-29/h9-12,17,20,30H,3-8,13-16,18-19H2,1-2H3/p+1