N-(2,6-dimethylphenyl)-2-[4-[(5-fluoranyl-2-nitro-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(5-fluoranyl-2-nitro-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(5-fluoro-2-nitro-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(5-fluoro-2-nitrophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(5-fluoro-2-nitrophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(5-fluoro-2-nitro-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26FN4O3+ MolecularWeight: 401.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O3/c1-15-4-3-5-16(2)21(15)23-20(27)14-25-10-8-24(9-11-25)13-17-12-18(22)6-7-19(17)26(28)29/h3-7,12H,8-11,13-14H2,1-2H3,(H,23,27)/p+1