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

Systemtic Name: methanesulfonate; 2-[1-(4-nitrophenyl)pyrrolidin-3-yl]-2,3-dihydro-1,3-thiazole Openeye Name: methanesulfonate; 2-[1-(4-nitrophenyl)pyrrolidin-3-yl]-2,3-dihydrothiazole CAS Name: methanesulfonate; 2-[1-(4-nitrophenyl)-3-pyrrolidinyl]-2,3-dihydrothiazole IUPAC Name: methanesulfonate; 2-[1-(4-nitrophenyl)pyrrolidin-3-yl]-2,3-dihydro-1,3-thiazole Traditional Name: 2-[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(CC1C2NC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)[O-].C1CN(CC1C2NC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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