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

Systemtic Name: 2-(4-methylphenyl)-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-3-olate Openeye Name: 4,6-bis(piperidin-1-ium-1-ylmethyl)-2-(p-tolyl)pyridin-3-olate CAS Name: 2-(4-methylphenyl)-4,6-bis(1-piperidin-1-iumylmethyl)-3-pyridinolate IUPAC Name: 2-(4-methylphenyl)-4,6-bis(piperidin-1-ium-1-ylmethyl)pyridin-3-olate Traditional Name: 4,6-bis(piperidin-1-ium-1-ylmethyl)-2-(p-tolyl)pyridin-3-olate Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC(=N2)C[NH+]3CCCCC3)C[NH+]4CCCCC4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC(=N2)C[NH+]3CCCCC3)C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C24H33N3O/c1-19-8-10-20(11-9-19)23-24(28)21(17-26-12-4-2-5-13-26)16-22(25-23)18-27-14-6-3-7-15-27/h8-11,16,28H,2-7,12-15,17-18H2,1H3/p+1