1-[(5-chloranylthiophen-2-yl)methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-(5-nitro-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium Formula: C14H16ClN4O2S+ MolecularWeight: 339.82044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O2S/c15-13-3-2-12(22-13)10-17-5-7-18(8-6-17)14-4-1-11(9-16-14)19(20)21/h1-4,9H,5-8,10H2/p+1