3-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]propan-1-ol; 4-methylbenzenesulfonic acid

Systemtic Name: 3-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]propan-1-ol; 4-methylbenzenesulfonic acid Openeye Name: 3-(4-amino-N-ethyl-3-methyl-anilino)propan-1-ol; 4-methylbenzenesulfonic acid CAS Name: 3-(4-amino-N-ethyl-3-methylanilino)-1-propanol; 4-methylbenzenesulfonic acid IUPAC Name: 3-(4-amino-N-ethyl-3-methylanilino)propan-1-ol; 4-methylbenzenesulfonic acid Traditional Name: 3-(4-amino-N-ethyl-3-methyl-anilino)propan-1-ol; tosylic acid Formula: C26H36N2O7S2 MolecularWeight: 552.70324

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCO)C1=CC(=C(C=C1)N)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CCCO)C1=CC(=C(C=C1)N)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H20N2O.2C7H8O3S/c1-3-14(7-4-8-15)11-5-6-12(13)10(2)9-11;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9,15H,3-4,7-8,13H2,1-2H3;2*2-5H,1H3,(H,8,9,10)