(3Z,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-(phenylmethyl)piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-(phenylmethyl)piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-benzyl-3,5-bis(p-tolylmethylene)piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-(phenylmethyl)-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-benzyl-3,5-bis[(4-methylphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-benzyl-3,5-bis(4-methylbenzylidene)piperidin-1-ium-4-one Formula: C28H28NO+ MolecularWeight: 394.52802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C[NH+](CC(=CC3=CC=C(C=C3)C)C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/2\C[NH+](C/C(=C/C3=CC=C(C=C3)C)/C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H27NO/c1-21-8-12-23(13-9-21)16-26-19-29(18-25-6-4-3-5-7-25)20-27(28(26)30)17-24-14-10-22(2)11-15-24/h3-17H,18-20H2,1-2H3/p+1/b26-16-,27-17+