[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(3-nitropyridin-1-ium-2-yl)piperazino]-(2-thienyl)methanone Formula: C14H15N4O3S+ MolecularWeight: 319.3589

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])C(=O)C3=CC=CS3

InChI

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