2,6-bis(2-methylphenyl)-3-propan-2-yl-piperidin-1-ium-4-one

Systemtic Name: 2,6-bis(2-methylphenyl)-3-propan-2-yl-piperidin-1-ium-4-one Openeye Name: 3-isopropyl-2,6-bis(o-tolyl)piperidin-1-ium-4-one CAS Name: 2,6-bis(2-methylphenyl)-3-propan-2-yl-4-piperidin-1-iumone IUPAC Name: 2,6-bis(2-methylphenyl)-3-propan-2-ylpiperidin-1-ium-4-one Traditional Name: 3-isopropyl-2,6-bis(o-tolyl)piperidin-1-ium-4-one Formula: C22H28NO+ MolecularWeight: 322.46382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(=O)C(C([NH2+]2)C3=CC=CC=C3C)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C2CC(=O)C(C([NH2+]2)C3=CC=CC=C3C)C(C)C

InChI

InChI=1S/C22H27NO/c1-14(2)21-20(24)13-19(17-11-7-5-9-15(17)3)23-22(21)18-12-8-6-10-16(18)4/h5-12,14,19,21-23H,13H2,1-4H3/p+1