N-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]ethanamide

Systemtic Name: N-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]ethanamide Openeye Name: N-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]acetamide CAS Name: N-[5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]acetamide IUPAC Name: N-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]acetamide Traditional Name: N-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]acetamide Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3/c1-10(18)14-12-9-11(3-4-13(12)17(19)20)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3,(H,14,18)/p+1