1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium

Systemtic Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium Openeye Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium CAS Name: 1-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]piperazin-4-ium IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium Traditional Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium Formula: C12H22N3+ MolecularWeight: 208.32318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCN2CC[NH2+]CC2)C

Isomeric SMILES

CC1=CC=C(N1CCN2CC[NH2+]CC2)C

InChI

InChI=1S/C12H21N3/c1-11-3-4-12(2)15(11)10-9-14-7-5-13-6-8-14/h3-4,13H,5-10H2,1-2H3/p+1