[N'-(3-methylbutanoyl)carbamimidoyl]-(phenylmethyl)azanium sulfate

Systemtic Name: [N'-(3-methylbutanoyl)carbamimidoyl]-(phenylmethyl)azanium sulfate Openeye Name: benzyl-[N'-(3-methylbutanoyl)carbamimidoyl]ammonium sulfate CAS Name: [amino-(3-methyl-1-oxobutyl)iminomethyl]-(phenylmethyl)ammonium sulfate IUPAC Name: benzyl-[N'-(3-methylbutanoyl)carbamimidoyl]azanium sulfate Traditional Name: benzyl-(N'-isovalerylamidino)ammonium sulfate Formula: C26H40N6O6S MolecularWeight: 564.6974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H19N3O.H2O4S/c2*1-10(2)8-12(17)16-13(14)15-9-11-6-4-3-5-7-11;1-5(2,3)4/h2*3-7,10H,8-9H2,1-2H3,(H3,14,15,16,17);(H2,1,2,3,4)