2-azanylethanoyl-[4-[carbamimidoyl-(3-methylsulfonylphenyl)carbonyl-amino]oxyphenyl]-dimethyl-azanium dihydrochloride

Systemtic Name: 2-azanylethanoyl-[4-[carbamimidoyl-(3-methylsulfonylphenyl)carbonyl-amino]oxyphenyl]-dimethyl-azanium dihydrochloride Openeye Name: (2-aminoacetyl)-[4-[carbamimidoyl-(3-methylsulfonylbenzoyl)amino]oxyphenyl]-dimethyl-ammonium dihydrochloride CAS Name: (2-amino-1-oxoethyl)-[4-[carbamimidoyl-[(3-methylsulfonylphenyl)-oxomethyl]amino]oxyphenyl]-dimethylammonium dihydrochloride IUPAC Name: (2-aminoacetyl)-[4-[carbamimidoyl-(3-methylsulfonylbenzoyl)amino]oxyphenyl]-dimethylazanium dihydrochloride Traditional Name: [4-[amidino-(3-mesylbenzoyl)amino]oxyphenyl]-glycyl-dimethyl-ammonium dihydrochloride Formula: C19H26Cl2N5O5S+ MolecularWeight: 507.41124

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N)C(=O)CN.Cl.Cl

Isomeric SMILES

C[N+](C)(C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N)C(=O)CN.Cl.Cl

InChI

InChI=1S/C19H24N5O5S.2ClH/c1-24(2,17(25)12-20)14-7-9-15(10-8-14)29-23(19(21)22)18(26)13-5-4-6-16(11-13)30(3,27)28;;/h4-11H,12,20H2,1-3H3,(H3,21,22);2*1H/q+1;;