2-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-(3-nitro-2-pyridin-1-iumyl)-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]-1,3-benzothiazole Formula: C17H17N4O2S+ MolecularWeight: 341.40748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c22-21(23)14-5-3-9-18-16(14)20-10-7-12(8-11-20)17-19-13-4-1-2-6-15(13)24-17/h1-6,9,12H,7-8,10-11H2/p+1