carbamimidoyl-[3-[(2,5-dimethylphenyl)azaniumyl]-2-oxidanyl-propyl]azanium sulfate

Systemtic Name: carbamimidoyl-[3-[(2,5-dimethylphenyl)azaniumyl]-2-oxidanyl-propyl]azanium sulfate Openeye Name: carbamimidoyl-[3-[(2,5-dimethylphenyl)ammonio]-2-hydroxy-propyl]ammonium sulfate CAS Name: carbamimidoyl-[3-[(2,5-dimethylphenyl)ammonio]-2-hydroxypropyl]ammonium sulfate IUPAC Name: carbamimidoyl-[3-[(2,5-dimethylphenyl)azaniumyl]-2-hydroxypropyl]azanium sulfate Traditional Name: amidino-[3-[(2,5-dimethylphenyl)ammonio]-2-hydroxy-propyl]ammonium sulfate Formula: C12H22N4O5S MolecularWeight: 334.39188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)[NH2+]CC(C[NH2+]C(=N)N)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)[NH2+]CC(C[NH2+]C(=N)N)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H20N4O.H2O4S/c1-8-3-4-9(2)11(5-8)15-6-10(17)7-16-12(13)14;1-5(2,3)4/h3-5,10,15,17H,6-7H2,1-2H3,(H4,13,14,16);(H2,1,2,3,4)