N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[2-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzyl]-2-(4-nitrophenoxy)acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CC=C2CNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CC=C2CNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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