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

Systemtic Name: (3Z,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-(phenylmethyl)piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-benzyl-3,5-bis[(4-ethoxyphenyl)methylene]piperidin-1-ium-4-one CAS Name: (3Z,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-(phenylmethyl)-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-benzyl-3,5-bis[(4-ethoxyphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-benzyl-3,5-bis(4-ethoxybenzylidene)piperidin-1-ium-4-one Formula: C30H32NO3+ MolecularWeight: 454.57998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C2C[NH+](CC(=CC3=CC=C(C=C3)OCC)C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/2\C[NH+](C/C(=C/C3=CC=C(C=C3)OCC)/C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C30H31NO3/c1-3-33-28-14-10-23(11-15-28)18-26-21-31(20-25-8-6-5-7-9-25)22-27(30(26)32)19-24-12-16-29(17-13-24)34-4-2/h5-19H,3-4,20-22H2,1-2H3/p+1/b26-18-,27-19+