N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(methylthio)phenyl]methanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine; oxalic acid Traditional Name: [4-(methylthio)benzyl]-piperonyl-amine; oxalic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CNCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17NO2S.C2H2O4/c1-20-14-5-2-12(3-6-14)9-17-10-13-4-7-15-16(8-13)19-11-18-15;3-1(4)2(5)6/h2-8,17H,9-11H2,1H3;(H,3,4)(H,5,6)