2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-pentylacetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3/c1-2-3-4-9-18-17(22)14-19-10-12-20(13-11-19)15-5-7-16(8-6-15)21(23)24/h5-8H,2-4,9-14H2,1H3,(H,18,22)/p+1