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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N4O2S/c22-21(23)14-7-3-9-18-16(14)20-10-4-5-12(11-20)17-19-13-6-1-2-8-15(13)24-17/h1-3,6-9,12H,4-5,10-11H2/p+1/t12-/m0/s1