N-(2-chloranylpyridin-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H19ClN5O3+ MolecularWeight: 376.81746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(N=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(N=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN5O3/c18-17-15(2-1-7-19-17)20-16(24)12-21-8-10-22(11-9-21)13-3-5-14(6-4-13)23(25)26/h1-7H,8-12H2,(H,20,24)/p+1