5-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde

Systemtic Name: 5-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde Openeye Name: 5-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde CAS Name: 5-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinyl]-2-thiophenecarboxaldehyde IUPAC Name: 5-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]thiophene-2-carbaldehyde Traditional Name: 5-[4-(3-nitropyridin-1-ium-2-yl)piperazino]thiophene-2-carbaldehyde Formula: C14H15N4O3S+ MolecularWeight: 319.3589

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(S2)C=O)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(S2)C=O)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3S/c19-10-11-3-4-13(22-11)16-6-8-17(9-7-16)14-12(18(20)21)2-1-5-15-14/h1-5,10H,6-9H2/p+1