4-[(1-oxidanylidenepyrrolidin-1-ium-2-yl)methyl]hepta-1,6-dien-4-ylazanium chloride

Systemtic Name: 4-[(1-oxidanylidenepyrrolidin-1-ium-2-yl)methyl]hepta-1,6-dien-4-ylazanium chloride Openeye Name: [1-allyl-1-[(1-oxopyrrolidin-1-ium-2-yl)methyl]but-3-enyl]ammonium chloride CAS Name: 4-[(1-oxo-2-pyrrolidin-1-iumyl)methyl]hepta-1,6-dien-4-ylammonium chloride IUPAC Name: 4-[(1-oxopyrrolidin-1-ium-2-yl)methyl]hepta-1,6-dien-4-ylazanium chloride Traditional Name: [1-allyl-1-[(1-ketopyrrolidin-1-ium-2-yl)methyl]but-3-enyl]ammonium chloride Formula: C12H22ClN2O+ MolecularWeight: 245.76888

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(CC1CCC[N+]1=O)[NH3+].[Cl-]

Isomeric SMILES

C=CCC(CC=C)(CC1CCC[N+]1=O)[NH3+].[Cl-]

InChI

InChI=1S/C12H21N2O.ClH/c1-3-7-12(13,8-4-2)10-11-6-5-9-14(11)15;/h3-4,11H,1-2,5-10,13H2;1H/q+1;