(3E,5E)-1-(phenylmethyl)-3,5-bis[(4-propan-2-ylphenyl)methylidene]piperidin-1-ium-4-one

Systemtic Name: (3E,5E)-1-(phenylmethyl)-3,5-bis[(4-propan-2-ylphenyl)methylidene]piperidin-1-ium-4-one Openeye Name: (3E,5E)-1-benzyl-3,5-bis[(4-isopropylphenyl)methylene]piperidin-1-ium-4-one CAS Name: (3E,5E)-1-(phenylmethyl)-3,5-bis[(4-propan-2-ylphenyl)methylidene]-4-piperidin-1-iumone IUPAC Name: (3E,5E)-1-benzyl-3,5-bis[(4-propan-2-ylphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3E,5E)-1-benzyl-3,5-bis(4-isopropylbenzylidene)piperidin-1-ium-4-one Formula: C32H36NO+ MolecularWeight: 450.63434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H35NO/c1-23(2)28-14-10-25(11-15-28)18-30-21-33(20-27-8-6-5-7-9-27)22-31(32(30)34)19-26-12-16-29(17-13-26)24(3)4/h5-19,23-24H,20-22H2,1-4H3/p+1/b30-18+,31-19+