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

Systemtic Name: 1-propan-2-yl-3,5-bis(pyridin-3-ylmethylidene)piperidin-1-ium-4-one Openeye Name: 1-isopropyl-3,5-bis(3-pyridylmethylene)piperidin-1-ium-4-one CAS Name: 1-propan-2-yl-3,5-bis(3-pyridinylmethylidene)-4-piperidin-1-iumone IUPAC Name: 1-propan-2-yl-3,5-bis(pyridin-3-ylmethylidene)piperidin-1-ium-4-one Traditional Name: 1-isopropyl-3,5-bis(3-pyridylmethylene)piperidin-1-ium-4-one Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(=CC2=CN=CC=C2)C(=O)C(=CC3=CN=CC=C3)C1

Isomeric SMILES

CC(C)[NH+]1CC(=CC2=CN=CC=C2)C(=O)C(=CC3=CN=CC=C3)C1

InChI

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