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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-(3-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C14H17BrN4O2S+2 MolecularWeight: 385.27938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C14H15BrN4O2S/c15-13-4-3-11(22-13)10-17-6-8-18(9-7-17)14-12(19(20)21)2-1-5-16-14/h1-5H,6-10H2/p+2