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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-29-20-8-2-17(3-9-20)10-11-22-21(26)16-23-12-14-24(15-13-23)18-4-6-19(7-5-18)25(27)28/h2-9H,10-16H2,1H3,(H,22,26)/p+1