N-(2,6-dimethylphenyl)-2-[4-(4-ethoxy-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(4-ethoxy-3-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(4-ethoxy-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(4-ethoxy-3-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(4-ethoxy-3-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H29N4O5+ MolecularWeight: 441.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-4-32-20-9-8-18(14-19(20)27(30)31)23(29)26-12-10-25(11-13-26)15-21(28)24-22-16(2)6-5-7-17(22)3/h5-9,14H,4,10-13,15H2,1-3H3,(H,24,28)/p+1