1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]-4-(3-nitropyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]-4-(3-nitropyridin-2-yl)piperazin-1-ium Openeye Name: 1-[[5-(3-chlorophenyl)-2-thienyl]methyl]-4-(3-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-[[5-(3-chlorophenyl)-2-thiophenyl]methyl]-4-(3-nitro-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]-4-(3-nitropyridin-2-yl)piperazin-1-ium Traditional Name: 1-[[5-(3-chlorophenyl)-2-thienyl]methyl]-4-(3-nitro-2-pyridyl)piperazin-1-ium Formula: C20H20ClN4O2S+ MolecularWeight: 415.9164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC(=CC=C3)Cl)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC(=CC=C3)Cl)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O2S/c21-16-4-1-3-15(13-16)19-7-6-17(28-19)14-23-9-11-24(12-10-23)20-18(25(26)27)5-2-8-22-20/h1-8,13H,9-12,14H2/p+1