1,3-bis(azanyl)-1-(4-chlorophenyl)propan-2-ol; 4-methylbenzenesulfonic acid

Systemtic Name: 1,3-bis(azanyl)-1-(4-chlorophenyl)propan-2-ol; 4-methylbenzenesulfonic acid Openeye Name: 1,3-diamino-1-(4-chlorophenyl)propan-2-ol; 4-methylbenzenesulfonic acid CAS Name: 1,3-diamino-1-(4-chlorophenyl)-2-propanol; 4-methylbenzenesulfonic acid IUPAC Name: 1,3-diamino-1-(4-chlorophenyl)propan-2-ol; 4-methylbenzenesulfonic acid Traditional Name: 1,3-diamino-1-(4-chlorophenyl)propan-2-ol; tosylic acid Formula: C16H21ClN2O4S MolecularWeight: 372.86694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C(C(CN)O)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C(C(CN)O)N)Cl

InChI

InChI=1S/C9H13ClN2O.C7H8O3S/c10-7-3-1-6(2-4-7)9(12)8(13)5-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,8-9,13H,5,11-12H2;2-5H,1H3,(H,8,9,10)