N-(2,6-dimethylphenyl)-2-[4-(1H-indazol-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(1H-indazol-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1H-indazol-3-yl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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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=NNC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C22H25N5O2/c1-15-6-5-7-16(2)20(15)23-19(28)14-26-10-12-27(13-11-26)22(29)21-17-8-3-4-9-18(17)24-25-21/h3-9H,10-14H2,1-2H3,(H,23,28)(H,24,25)/p+1