4-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]butan-1-ol sulfate

Systemtic Name: 4-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]butan-1-ol sulfate Openeye Name: 4-(4-amino-N-ethyl-3-methyl-anilino)butan-1-ol sulfate CAS Name: 4-(4-amino-N-ethyl-3-methylanilino)-1-butanol sulfate IUPAC Name: 4-(4-amino-N-ethyl-3-methylanilino)butan-1-ol sulfate Traditional Name: 4-(4-amino-N-ethyl-3-methyl-anilino)butan-1-ol sulfate Formula: C13H22N2O5S-2 MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCO)C1=CC(=C(C=C1)N)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCN(CCCCO)C1=CC(=C(C=C1)N)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C13H22N2O.H2O4S/c1-3-15(8-4-5-9-16)12-6-7-13(14)11(2)10-12;1-5(2,3)4/h6-7,10,16H,3-5,8-9,14H2,1-2H3;(H2,1,2,3,4)/p-2