[N'-[3-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanyl-propyl]carbamimidoyl]azanium sulfate

Systemtic Name: [N'-[3-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanyl-propyl]carbamimidoyl]azanium sulfate Openeye Name: [N'-[3-(2-bromo-4-methyl-anilino)-2-hydroxy-propyl]carbamimidoyl]ammonium sulfate CAS Name: [amino-[3-(2-bromo-4-methylanilino)-2-hydroxypropyl]iminomethyl]ammonium sulfate IUPAC Name: [N'-[3-(2-bromo-4-methylanilino)-2-hydroxypropyl]carbamimidoyl]azanium sulfate Traditional Name: [N'-[3-(2-bromo-4-methyl-anilino)-2-hydroxy-propyl]amidino]ammonium sulfate Formula: C22H36Br2N8O6S MolecularWeight: 700.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC(CN=C([NH3+])N)O)Br.CC1=CC(=C(C=C1)NCC(CN=C([NH3+])N)O)Br.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NCC(CN=C([NH3+])N)O)Br.CC1=CC(=C(C=C1)NCC(CN=C([NH3+])N)O)Br.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C11H17BrN4O.H2O4S/c2*1-7-2-3-10(9(12)4-7)15-5-8(17)6-16-11(13)14;1-5(2,3)4/h2*2-4,8,15,17H,5-6H2,1H3,(H4,13,14,16);(H2,1,2,3,4)