1-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one CAS Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-nitropyridin-2-one Traditional Name: 1-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-nitro-2-pyridone Formula: C18H19N4O3S+ MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C=C(C=CC2=O)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C=C(C=CC2=O)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N4O3S/c23-17-8-7-14(22(24)25)11-21(17)12-20-9-3-4-13(10-20)18-19-15-5-1-2-6-16(15)26-18/h1-2,5-8,11,13H,3-4,9-10,12H2/p+1/t13-/m0/s1