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

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N5O2/c1-15-16(2)26(18-7-5-4-6-8-18)21(19(15)13-22)23-20(28)14-24-9-11-25(12-10-24)17(3)27/h4-8H,9-12,14H2,1-3H3,(H,23,28)/p+1