N-(2,6-dimethylphenyl)-2-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-[3-(1-pyrrolyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-19-7-5-8-20(2)24(19)26-23(30)18-27-13-15-29(16-14-27)25(31)21-9-6-10-22(17-21)28-11-3-4-12-28/h3-12,17H,13-16,18H2,1-2H3,(H,26,30)/p+1