N-(2,6-dimethylphenyl)-2-[4-[(4-ethanoyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(4-ethanoyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(4-acetyl-1H-pyrrol-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C21H26N4O3/c1-14-5-4-6-15(2)20(14)23-19(27)13-24-7-9-25(10-8-24)21(28)18-11-17(12-22-18)16(3)26/h4-6,11-12,22H,7-10,13H2,1-3H3,(H,23,27)/p+1