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

Systemtic Name: 4-[(1-oxidanylidenepyrrolidin-1-ium-2-yl)methyl]hepta-1,6-dien-4-amine Openeye Name: 4-[(1-oxopyrrolidin-1-ium-2-yl)methyl]hepta-1,6-dien-4-amine CAS Name: 4-[(1-oxo-2-pyrrolidin-1-iumyl)methyl]-4-hepta-1,6-dienamine IUPAC Name: 4-[(1-oxopyrrolidin-1-ium-2-yl)methyl]hepta-1,6-dien-4-amine Traditional Name: [1-allyl-1-[(1-ketopyrrolidin-1-ium-2-yl)methyl]but-3-enyl]amine Formula: C12H21N2O+ MolecularWeight: 209.30794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(CC1CCC[N+]1=O)N

Isomeric SMILES

C=CCC(CC=C)(CC1CCC[N+]1=O)N

InChI

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