4-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[2-(dimethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-[2-(dimethylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]methyl]-3-nitro-benzamide Formula: C16H24N5O4+ MolecularWeight: 350.39286

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4/c1-18(2)15(22)11-20-7-5-19(6-8-20)10-13-4-3-12(16(17)23)9-14(13)21(24)25/h3-4,9H,5-8,10-11H2,1-2H3,(H2,17,23)/p+1