3-[1-(4-nitrophenyl)pyrrolidin-3-yl]-1,3-thiazol-3-ium

Systemtic Name: 3-[1-(4-nitrophenyl)pyrrolidin-3-yl]-1,3-thiazol-3-ium Openeye Name: 3-[1-(4-nitrophenyl)pyrrolidin-3-yl]thiazol-3-ium CAS Name: 3-[1-(4-nitrophenyl)-3-pyrrolidinyl]thiazol-3-ium IUPAC Name: 3-[1-(4-nitrophenyl)pyrrolidin-3-yl]-1,3-thiazol-3-ium Traditional Name: 3-[1-(4-nitrophenyl)pyrrolidin-3-yl]thiazol-3-ium Formula: C13H14N3O2S+ MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1[N+]2=CSC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1[N+]2=CSC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N3O2S/c17-16(18)12-3-1-11(2-4-12)14-6-5-13(9-14)15-7-8-19-10-15/h1-4,7-8,10,13H,5-6,9H2/q+1