3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-3-oxo-propanenitrile CAS Name: 3-[4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazin-4-iumyl]-3-oxopropanenitrile IUPAC Name: 3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-3-oxopropanenitrile Traditional Name: 3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-yl]-3-keto-propionitrile Formula: C15H23N4O+ MolecularWeight: 275.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)CC#N)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=O)CC#N)C

InChI

InChI=1S/C15H22N4O/c1-13-3-4-14(2)19(13)12-9-17-7-10-18(11-8-17)15(20)5-6-16/h3-4H,5,7-12H2,1-2H3/p+1