1-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-pyrrolidin-1-ium

Systemtic Name: 1-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-pyrrolidin-1-ium Openeye Name: 1-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-pyrrolidin-1-ium CAS Name: 1-(1-cyclohexa-1,3-dienylmethyl)-1-methylpyrrolidin-1-ium IUPAC Name: 1-(cyclohexa-1,3-dien-1-ylmethyl)-1-methylpyrrolidin-1-ium Traditional Name: 1-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-pyrrolidin-1-ium Formula: C12H20N+ MolecularWeight: 178.2939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=CC=CCC2

Isomeric SMILES

C[N+]1(CCCC1)CC2=CC=CCC2

InChI

InChI=1S/C12H20N/c1-13(9-5-6-10-13)11-12-7-3-2-4-8-12/h2-3,7H,4-6,8-11H2,1H3/q+1