N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-17-3-8-21(18(2)15-17)30-14-9-23-22(27)16-24-10-12-25(13-11-24)19-4-6-20(7-5-19)26(28)29/h3-8,15H,9-14,16H2,1-2H3,(H,23,27)/p+1