2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-2-(phenylmethyl)butan-1-one; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-2-(phenylmethyl)butan-1-one; 4-methylbenzenesulfonic acid Openeye Name: 2-benzyl-2-(dimethylamino)-1-(4-morpholinophenyl)butan-1-one; 4-methylbenzenesulfonic acid CAS Name: 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-1-butanone; 4-methylbenzenesulfonic acid IUPAC Name: 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one; 4-methylbenzenesulfonic acid Traditional Name: 2-benzyl-2-(dimethylamino)-1-(4-morpholinophenyl)butan-1-one; tosylic acid Formula: C30H38N2O5S MolecularWeight: 538.69812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C23H30N2O2.C7H8O3S/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25;1-6-2-4-7(5-3-6)11(8,9)10/h5-13H,4,14-18H2,1-3H3;2-5H,1H3,(H,8,9,10)