2-chloranyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]quinoline CAS Name: 2-chloro-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]quinoline Formula: C20H20ClN4O2+ MolecularWeight: 383.8514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O2/c21-20-16(13-15-3-1-2-4-19(15)22-20)14-23-9-11-24(12-10-23)17-5-7-18(8-6-17)25(26)27/h1-8,13H,9-12,14H2/p+1