N-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-nitro-benzamide Formula: C15H21N4O4+ MolecularWeight: 321.35164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4/c1-17-8-10-18(11-9-17)14(20)6-7-16-15(21)12-2-4-13(5-3-12)19(22)23/h2-5H,6-11H2,1H3,(H,16,21)/p+1