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

Systemtic Name: (3E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-propyl-piperidin-1-ium-4-one Openeye Name: (3E)-3,5-bis[(4-dimethylaminophenyl)methylene]-1-propyl-piperidin-1-ium-4-one CAS Name: (3E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-propyl-4-piperidin-1-iumone IUPAC Name: (3E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-1-propylpiperidin-1-ium-4-one Traditional Name: (3E)-3,5-bis[4-(dimethylamino)benzylidene]-1-propyl-piperidin-1-ium-4-one Formula: C26H34N3O+ MolecularWeight: 404.56766

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC(=CC2=CC=C(C=C2)N(C)C)C(=O)C(=CC3=CC=C(C=C3)N(C)C)C1

Isomeric SMILES

CCC[NH+]1CC(=CC2=CC=C(C=C2)N(C)C)C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C1

InChI

InChI=1S/C26H33N3O/c1-6-15-29-18-22(16-20-7-11-24(12-8-20)27(2)3)26(30)23(19-29)17-21-9-13-25(14-10-21)28(4)5/h7-14,16-17H,6,15,18-19H2,1-5H3/p+1/b22-16+,23-17?