methanesulfonate; 3-[1-(4-nitrophenyl)pyrrolidin-3-yl]-2H-1,3-thiazole

Systemtic Name: methanesulfonate; 3-[1-(4-nitrophenyl)pyrrolidin-3-yl]-2H-1,3-thiazole Openeye Name: methanesulfonate; 3-[1-(4-nitrophenyl)pyrrolidin-3-yl]-2H-thiazole CAS Name: methanesulfonate; 3-[1-(4-nitrophenyl)-3-pyrrolidinyl]-2H-thiazole IUPAC Name: methanesulfonate; 3-[1-(4-nitrophenyl)pyrrolidin-3-yl]-2H-1,3-thiazole Traditional Name: 3-[1-(4-nitrophenyl)pyrrolidin-3-yl]-4-thiazoline mesylate Formula: C14H18N3O5S2- MolecularWeight: 372.43982

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CN(CC1N2CSC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)[O-].C1CN(CC1N2CSC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O2S.CH4O3S/c17-16(18)12-3-1-11(2-4-12)14-6-5-13(9-14)15-7-8-19-10-15;1-5(2,3)4/h1-4,7-8,13H,5-6,9-10H2;1H3,(H,2,3,4)/p-1