methanesulfonate; [N'-(2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-phenyl)carbonylcarbamimidoyl]azanium

Systemtic Name: methanesulfonate; [N'-(2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-phenyl)carbonylcarbamimidoyl]azanium Openeye Name: methanesulfonate; [N'-(2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzoyl)carbamimidoyl]ammonium CAS Name: [amino-[[2-methyl-5-methylsulfonyl-4-(1-pyrrolyl)phenyl]-oxomethyl]iminomethyl]ammonium; methanesulfonate IUPAC Name: methanesulfonate; [N'-(2-methyl-5-methylsulfonyl-4-pyrrol-1-ylbenzoyl)carbamimidoyl]azanium Traditional Name: [N'-(5-mesyl-2-methyl-4-pyrrol-1-yl-benzoyl)amidino]ammonium mesylate Formula: C15H20N4O6S2 MolecularWeight: 416.4725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C([NH3+])N)S(=O)(=O)C)N2C=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C([NH3+])N)S(=O)(=O)C)N2C=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C14H16N4O3S.CH4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16;1-5(2,3)4/h3-8H,1-2H3,(H4,15,16,17,19);1H3,(H,2,3,4)