N,N-dimethyl-7-(4-phenylphenoxy)heptan-1-amine; sulfuric acid

Systemtic Name: N,N-dimethyl-7-(4-phenylphenoxy)heptan-1-amine; sulfuric acid Openeye Name: N,N-dimethyl-7-(4-phenylphenoxy)heptan-1-amine; sulfuric acid CAS Name: N,N-dimethyl-7-(4-phenylphenoxy)-1-heptanamine; sulfuric acid IUPAC Name: N,N-dimethyl-7-(4-phenylphenoxy)heptan-1-amine; sulfuric acid Traditional Name: dimethyl-[7-(4-phenylphenoxy)heptyl]amine; sulfuric acid Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.OS(=O)(=O)O

Isomeric SMILES

CN(C)CCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2.OS(=O)(=O)O

InChI

InChI=1S/C21H29NO.H2O4S/c1-22(2)17-9-4-3-5-10-18-23-21-15-13-20(14-16-21)19-11-7-6-8-12-19;1-5(2,3)4/h6-8,11-16H,3-5,9-10,17-18H2,1-2H3;(H2,1,2,3,4)