3-(2,6-dimethylphenoxy)-N-methyl-3-(3-methylthiophen-2-yl)propan-1-amine; ethanoic acid

Systemtic Name: 3-(2,6-dimethylphenoxy)-N-methyl-3-(3-methylthiophen-2-yl)propan-1-amine; ethanoic acid Openeye Name: acetic acid; 3-(2,6-dimethylphenoxy)-N-methyl-3-(3-methyl-2-thienyl)propan-1-amine CAS Name: acetic acid; 3-(2,6-dimethylphenoxy)-N-methyl-3-(3-methyl-2-thiophenyl)-1-propanamine IUPAC Name: acetic acid; 3-(2,6-dimethylphenoxy)-N-methyl-3-(3-methylthiophen-2-yl)propan-1-amine Traditional Name: acetic acid; [3-(2,6-dimethylphenoxy)-3-(3-methyl-2-thienyl)propyl]-methyl-amine Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(CCNC)C2=C(C=CS2)C.CC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(CCNC)C2=C(C=CS2)C.CC(=O)O

InChI

InChI=1S/C17H23NOS.C2H4O2/c1-12-6-5-7-13(2)16(12)19-15(8-10-18-4)17-14(3)9-11-20-17;1-2(3)4/h5-7,9,11,15,18H,8,10H2,1-4H3;1H3,(H,3,4)