N,N-dimethyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methylsulfanylmethyl]phenoxy]ethanamine; ethanedioic acid

Systemtic Name: N,N-dimethyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methylsulfanylmethyl]phenoxy]ethanamine; ethanedioic acid Openeye Name: N,N-dimethyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methylsulfanylmethyl]phenoxy]ethanamine; oxalic acid CAS Name: N,N-dimethyl-2-[4-[[(5-methyl-1H-imidazol-4-yl)methylthio]methyl]phenoxy]ethanamine; oxalic acid IUPAC Name: N,N-dimethyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methylsulfanylmethyl]phenoxy]ethanamine; oxalic acid Traditional Name: dimethyl-[2-[4-[[(5-methyl-1H-imidazol-4-yl)methylthio]methyl]phenoxy]ethyl]amine; oxalic acid Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCC2=CC=C(C=C2)OCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(N=CN1)CSCC2=CC=C(C=C2)OCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3OS.C2H2O4/c1-13-16(18-12-17-13)11-21-10-14-4-6-15(7-5-14)20-9-8-19(2)3;3-1(4)2(5)6/h4-7,12H,8-11H2,1-3H3,(H,17,18);(H,3,4)(H,5,6)