(3E,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methyl-piperidin-1-ium-4-one

Systemtic Name: (3E,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[[4-(diethylamino)phenyl]methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis[4-(diethylamino)benzylidene]-1-methyl-piperidin-1-ium-4-one Formula: C28H38N3O+ MolecularWeight: 432.62082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C2C[NH+](CC(=CC3=CC=C(C=C3)N(CC)CC)C2=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O/c1-6-30(7-2)26-14-10-22(11-15-26)18-24-20-29(5)21-25(28(24)32)19-23-12-16-27(17-13-23)31(8-3)9-4/h10-19H,6-9,20-21H2,1-5H3/p+1/b24-18+,25-19+