N,N-dimethyl-2-[(4-methylsulfinylphenoxy)methyl]-3-phenyl-propan-1-amine; ethanedioic acid

Systemtic Name: N,N-dimethyl-2-[(4-methylsulfinylphenoxy)methyl]-3-phenyl-propan-1-amine; ethanedioic acid Openeye Name: 2-benzyl-N,N-dimethyl-3-(4-methylsulfinylphenoxy)propan-1-amine; oxalic acid CAS Name: N,N-dimethyl-2-[(4-methylsulfinylphenoxy)methyl]-3-phenyl-1-propanamine; oxalic acid IUPAC Name: 2-benzyl-N,N-dimethyl-3-(4-methylsulfinylphenoxy)propan-1-amine; oxalic acid Traditional Name: [2-benzyl-3-(4-methylsulfinylphenoxy)propyl]-dimethyl-amine; oxalic acid Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CC1=CC=CC=C1)COC2=CC=C(C=C2)S(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CC(CC1=CC=CC=C1)COC2=CC=C(C=C2)S(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25NO2S.C2H2O4/c1-20(2)14-17(13-16-7-5-4-6-8-16)15-22-18-9-11-19(12-10-18)23(3)21;3-1(4)2(5)6/h4-12,17H,13-15H2,1-3H3;(H,3,4)(H,5,6)