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

Systemtic Name: 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Openeye Name: 1-[[5-(3-chlorophenyl)-2-thienyl]methyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-[[5-(3-chlorophenyl)-2-thiophenyl]methyl]-4-(5-nitro-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Traditional Name: 1-[[5-(3-chlorophenyl)-2-thienyl]methyl]-4-(5-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=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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