1-[(6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)oxy]ethanol; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[(6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)oxy]ethanol; 4-methylbenzenesulfonic acid Openeye Name: 1-[(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)oxy]ethanol; 4-methylbenzenesulfonic acid CAS Name: 1-[(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)oxy]ethanol; 4-methylbenzenesulfonic acid IUPAC Name: 1-[(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)oxy]ethanol; 4-methylbenzenesulfonic acid Traditional Name: 1-[(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)oxy]ethanol; tosylic acid Formula: C20H26ClNO5S MolecularWeight: 427.94214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(O)OC1=C2CCN(CCC2=C(C=C1)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(O)OC1=C2CCN(CCC2=C(C=C1)Cl)C

InChI

InChI=1S/C13H18ClNO2.C7H8O3S/c1-9(16)17-13-4-3-12(14)10-5-7-15(2)8-6-11(10)13;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,9,16H,5-8H2,1-2H3;2-5H,1H3,(H,8,9,10)