3-(4-chloranyl-3-methyl-phenoxy)-N-methyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(4-chloranyl-3-methyl-phenoxy)-N-methyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(4-chloro-3-methyl-phenoxy)-N-methyl-propan-1-amine; oxalic acid CAS Name: 3-(4-chloro-3-methylphenoxy)-N-methyl-1-propanamine; oxalic acid IUPAC Name: 3-(4-chloro-3-methylphenoxy)-N-methylpropan-1-amine; oxalic acid Traditional Name: 3-(4-chloro-3-methyl-phenoxy)propyl-methyl-amine; oxalic acid Formula: C13H18ClNO5 MolecularWeight: 303.73872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCNC)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCNC)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H16ClNO.C2H2O4/c1-9-8-10(4-5-11(9)12)14-7-3-6-13-2;3-1(4)2(5)6/h4-5,8,13H,3,6-7H2,1-2H3;(H,3,4)(H,5,6)