N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-cyclohexan-1-amine; ethanedioic acid

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-cyclohexan-1-amine; ethanedioic acid Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-cyclohexanamine; oxalic acid CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-1-cyclohexanamine; oxalic acid IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylcyclohexan-1-amine; oxalic acid Traditional Name: homopiperonyl-(4-methylcyclohexyl)amine; oxalic acid Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCC(CC1)NCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO2.C2H2O4/c1-12-2-5-14(6-3-12)17-9-8-13-4-7-15-16(10-13)19-11-18-15;3-1(4)2(5)6/h4,7,10,12,14,17H,2-3,5-6,8-9,11H2,1H3;(H,3,4)(H,5,6)