N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCNC(=O)C2)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCNC(=O)C2)C3CCCC3)C

InChI

InChI=1S/C18H25N5O2/c1-12-13(2)23(14-5-3-4-6-14)18(15(12)9-19)21-17(25)11-22-8-7-20-16(24)10-22/h14H,3-8,10-11H2,1-2H3,(H,20,24)(H,21,25)/p+1