(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-diethyl-piperidin-1-ium-4-one iodide

Systemtic Name: (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-diethyl-piperidin-1-ium-4-one iodide Openeye Name: (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylene]-1,1-diethyl-piperidin-1-ium-4-one iodide CAS Name: (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-diethyl-4-piperidin-1-iumone iodide IUPAC Name: (3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-diethylpiperidin-1-ium-4-one iodide Traditional Name: (3E,5E)-3,5-bis[4-(dimethylamino)benzylidene]-1,1-diethyl-piperidin-1-ium-4-one iodide Formula: C27H36IN3O MolecularWeight: 545.49871

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC(=CC2=CC=C(C=C2)N(C)C)C(=O)C(=CC3=CC=C(C=C3)N(C)C)C1)CC.[I-]

Isomeric SMILES

CC[N+]1(C/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C1)CC.[I-]

InChI

InChI=1S/C27H36N3O.HI/c1-7-30(8-2)19-23(17-21-9-13-25(14-10-21)28(3)4)27(31)24(20-30)18-22-11-15-26(16-12-22)29(5)6;/h9-18H,7-8,19-20H2,1-6H3;1H/q+1;/p-1/b23-17+,24-18+;