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

Systemtic Name: (3Z,5Z)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-dimethyl-piperidin-1-ium-4-one iodide Openeye Name: (3Z,5Z)-3,5-bis[(4-dimethylaminophenyl)methylene]-1,1-dimethyl-piperidin-1-ium-4-one iodide CAS Name: (3Z,5Z)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-dimethyl-4-piperidin-1-iumone iodide IUPAC Name: (3Z,5Z)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide Traditional Name: (3Z,5Z)-3,5-bis[4-(dimethylamino)benzylidene]-1,1-dimethyl-piperidin-1-ium-4-one iodide Formula: C25H32IN3O MolecularWeight: 517.44555

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2C[N+](CC(=CC3=CC=C(C=C3)N(C)C)C2=O)(C)C.[I-]

Isomeric SMILES

CN(C1=CC=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/C[N+](C2)(C)C)C.[I-]

InChI

InChI=1S/C25H32N3O.HI/c1-26(2)23-11-7-19(8-12-23)15-21-17-28(5,6)18-22(25(21)29)16-20-9-13-24(14-10-20)27(3)4;/h7-16H,17-18H2,1-6H3;1H/q+1;/p-1/b21-15-,22-16-;