2-[4,4-bis(dimethylamino)-1-phenyl-butyl]-4-methyl-phenol; sulfuric acid

Systemtic Name: 2-[4,4-bis(dimethylamino)-1-phenyl-butyl]-4-methyl-phenol; sulfuric acid Openeye Name: 2-[4,4-bis(dimethylamino)-1-phenyl-butyl]-4-methyl-phenol; sulfuric acid CAS Name: 2-[4,4-bis(dimethylamino)-1-phenylbutyl]-4-methylphenol; sulfuric acid IUPAC Name: 2-[4,4-bis(dimethylamino)-1-phenylbutyl]-4-methylphenol; sulfuric acid Traditional Name: 2-[4,4-bis(dimethylamino)-1-phenyl-butyl]-4-methyl-phenol; sulfuric acid Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O.H2O4S/c1-16-11-13-20(24)19(15-16)18(17-9-7-6-8-10-17)12-14-21(22(2)3)23(4)5;1-5(2,3)4/h6-11,13,15,18,21,24H,12,14H2,1-5H3;(H2,1,2,3,4)