4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(3-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(3-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(3-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-N-(3-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(3-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(3-methoxyphenyl)-3-nitro-benzamide Formula: C20H25N4O5+ MolecularWeight: 401.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-29-17-4-2-3-16(14-17)21-20(26)15-5-6-18(19(13-15)24(27)28)23-9-7-22(8-10-23)11-12-25/h2-6,13-14,25H,7-12H2,1H3,(H,21,26)/p+1