(2,6-diphenylpyridin-4-yl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone

Systemtic Name: (2,6-diphenylpyridin-4-yl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone Openeye Name: (2,6-diphenyl-4-pyridyl)-[1-(1-piperidyl)piperidin-1-ium-1-yl]methanone CAS Name: (2,6-diphenyl-4-pyridinyl)-[1-(1-piperidinyl)-1-piperidin-1-iumyl]methanone IUPAC Name: (2,6-diphenylpyridin-4-yl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone Traditional Name: (2,6-diphenyl-4-pyridyl)-(1-piperidinopiperidin-1-ium-1-yl)methanone Formula: C28H32N3O+ MolecularWeight: 426.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)[N+]2(CCCCC2)C(=O)C3=CC(=NC(=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)[N+]2(CCCCC2)C(=O)C3=CC(=NC(=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N3O/c32-28(31(19-11-4-12-20-31)30-17-9-3-10-18-30)25-21-26(23-13-5-1-6-14-23)29-27(22-25)24-15-7-2-8-16-24/h1-2,5-8,13-16,21-22H,3-4,9-12,17-20H2/q+1