1-[4-ethoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C21H26N3O4+ MolecularWeight: 384.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-3-28-21-9-4-17(16(2)25)14-18(21)15-22-10-12-23(13-11-22)19-5-7-20(8-6-19)24(26)27/h4-9,14H,3,10-13,15H2,1-2H3/p+1