(3E)-3-(dimethylaminomethylidene)-1-methyl-piperidin-1-ium-4-one

Systemtic Name: (3E)-3-(dimethylaminomethylidene)-1-methyl-piperidin-1-ium-4-one Openeye Name: (3E)-3-(dimethylaminomethylene)-1-methyl-piperidin-1-ium-4-one CAS Name: (3E)-3-(dimethylaminomethylidene)-1-methyl-4-piperidin-1-iumone IUPAC Name: (3E)-3-(dimethylaminomethylidene)-1-methylpiperidin-1-ium-4-one Traditional Name: (3E)-3-(dimethylaminomethylene)-1-methyl-piperidin-1-ium-4-one Formula: C9H17N2O+ MolecularWeight: 169.24408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=O)C(=CN(C)C)C1

Isomeric SMILES

C[NH+]1CCC(=O)/C(=C/N(C)C)/C1

InChI

InChI=1S/C9H16N2O/c1-10(2)6-8-7-11(3)5-4-9(8)12/h6H,4-5,7H2,1-3H3/p+1/b8-6+