1-propan-2-yl-3-(pyridin-1-ium-2-ylmethylidene)-5-(pyridin-2-ylmethylidene)piperidin-1-ium-4-one

Systemtic Name: 1-propan-2-yl-3-(pyridin-1-ium-2-ylmethylidene)-5-(pyridin-2-ylmethylidene)piperidin-1-ium-4-one Openeye Name: 1-isopropyl-3-(pyridin-1-ium-2-ylmethylene)-5-(2-pyridylmethylene)piperidin-1-ium-4-one CAS Name: 1-propan-2-yl-3-(2-pyridin-1-iumylmethylidene)-5-(2-pyridinylmethylidene)-4-piperidin-1-iumone IUPAC Name: 1-propan-2-yl-3-(pyridin-1-ium-2-ylmethylidene)-5-(pyridin-2-ylmethylidene)piperidin-1-ium-4-one Traditional Name: 1-isopropyl-3-(pyridin-1-ium-2-ylmethylene)-5-(2-pyridylmethylene)piperidin-1-ium-4-one Formula: C20H23N3O+2 MolecularWeight: 321.41612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(=CC2=CC=CC=[NH+]2)C(=O)C(=CC3=CC=CC=N3)C1

Isomeric SMILES

CC(C)[NH+]1CC(=CC2=CC=CC=[NH+]2)C(=O)C(=CC3=CC=CC=N3)C1

InChI

InChI=1S/C20H21N3O/c1-15(2)23-13-16(11-18-7-3-5-9-21-18)20(24)17(14-23)12-19-8-4-6-10-22-19/h3-12,15H,13-14H2,1-2H3/p+2