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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-nitrophenoxy)acetamide Formula: C20H23N4O5+ MolecularWeight: 399.42042

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-22-10-12-23(13-11-22)20(26)15-6-2-3-7-16(15)21-19(25)14-29-18-9-5-4-8-17(18)24(27)28/h2-9H,10-14H2,1H3,(H,21,25)/p+1