methanesulfonate; 1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium

Systemtic Name: methanesulfonate; 1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium Openeye Name: methanesulfonate; 1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium CAS Name: methanesulfonate; 1-methyl-3-[1-(4-nitrophenyl)-3-pyrrolidinyl]imidazol-1-ium IUPAC Name: methanesulfonate; 1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium Traditional Name: 1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium mesylate Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2CCN(C2)C3=CC=C(C=C3)[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2CCN(C2)C3=CC=C(C=C3)[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C14H17N4O2.CH4O3S/c1-15-8-9-17(11-15)14-6-7-16(10-14)12-2-4-13(5-3-12)18(19)20;1-5(2,3)4/h2-5,8-9,11,14H,6-7,10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1