2-[(2R)-1-(3-nitropyridin-1-ium-2-yl)pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-(3-nitropyridin-1-ium-2-yl)pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-(3-nitropyridin-1-ium-2-yl)pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-(3-nitro-2-pyridin-1-iumyl)-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-(3-nitropyridin-1-ium-2-yl)pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(3-nitropyridin-1-ium-2-yl)pyrrolidin-2-yl]-1,3-benzothiazole Formula: C16H15N4O2S+ MolecularWeight: 327.3809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c21-20(22)12-6-3-9-17-15(12)19-10-4-7-13(19)16-18-11-5-1-2-8-14(11)23-16/h1-3,5-6,8-9,13H,4,7,10H2/p+1/t13-/m1/s1