[azaniumylidene(azanyl)methyl]-[3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium sulfate

Systemtic Name: [azaniumylidene(azanyl)methyl]-[3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium sulfate Openeye Name: [amino(azaniumylidene)methyl]-[2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium sulfate CAS Name: [amino(iminio)methyl]-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]ammonium sulfate IUPAC Name: [amino(azaniumylidene)methyl]-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium sulfate Traditional Name: [amino(iminio)methyl]-[2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium sulfate Formula: C14H25N3O6S MolecularWeight: 363.4298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2.H2O4S/c1-9(2)13-5-4-12(6-10(13)3)19-8-11(18)7-17-14(15)16;1-5(2,3)4/h4-6,9,11,18H,7-8H2,1-3H3,(H4,15,16,17);(H2,1,2,3,4)