N-(1,3-benzodioxol-5-ylmethyl)adamantan-1-amine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)adamantan-1-amine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)adamantan-1-amine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-adamantanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)adamantan-1-amine; oxalic acid Traditional Name: 1-adamantyl(piperonyl)amine; oxalic acid Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23NO2.C2H2O4/c1-2-16-17(21-11-20-16)6-12(1)10-19-18-7-13-3-14(8-18)5-15(4-13)9-18;3-1(4)2(5)6/h1-2,6,13-15,19H,3-5,7-11H2;(H,3,4)(H,5,6)