methanesulfonate; 1-methyl-3-[1-(3-methyl-4-nitro-phenyl)pyrrolidin-3-yl]-2H-imidazole

Systemtic Name: methanesulfonate; 1-methyl-3-[1-(3-methyl-4-nitro-phenyl)pyrrolidin-3-yl]-2H-imidazole Openeye Name: methanesulfonate; 1-methyl-3-[1-(3-methyl-4-nitro-phenyl)pyrrolidin-3-yl]-2H-imidazole CAS Name: methanesulfonate; 1-methyl-3-[1-(3-methyl-4-nitrophenyl)-3-pyrrolidinyl]-2H-imidazole IUPAC Name: methanesulfonate; 1-methyl-3-[1-(3-methyl-4-nitrophenyl)pyrrolidin-3-yl]-2H-imidazole Traditional Name: 1-methyl-3-[1-(3-methyl-4-nitro-phenyl)pyrrolidin-3-yl]-4-imidazoline mesylate Formula: C16H23N4O5S- MolecularWeight: 383.44262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(C2)N3CN(C=C3)C)[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC(C2)N3CN(C=C3)C)[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C15H20N4O2.CH4O3S/c1-12-9-13(3-4-15(12)19(20)21)17-6-5-14(10-17)18-8-7-16(2)11-18;1-5(2,3)4/h3-4,7-9,14H,5-6,10-11H2,1-2H3;1H3,(H,2,3,4)/p-1