3-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)propyl-dimethyl-azanium Openeye Name: 3-(3-formyl-2,5-dimethyl-pyrrol-1-yl)propyl-dimethyl-ammonium CAS Name: 3-(3-formyl-2,5-dimethyl-1-pyrrolyl)propyl-dimethylammonium IUPAC Name: 3-(3-formyl-2,5-dimethylpyrrol-1-yl)propyl-dimethylazanium Traditional Name: 3-(3-formyl-2,5-dimethyl-pyrrol-1-yl)propyl-dimethyl-ammonium Formula: C12H21N2O+ MolecularWeight: 209.30794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC[NH+](C)C)C)C=O

Isomeric SMILES

CC1=CC(=C(N1CCC[NH+](C)C)C)C=O

InChI

InChI=1S/C12H20N2O/c1-10-8-12(9-15)11(2)14(10)7-5-6-13(3)4/h8-9H,5-7H2,1-4H3/p+1