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

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

Systemtic Name:N-[2-(1,3-benzodioxol-5-yl)ethyl]adamantan-2-amine; ethanedioic acid
Openeye Name:N-[2-(1,3-benzodioxol-5-yl)ethyl]adamantan-2-amine; oxalic acid
CAS Name:N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-adamantanamine; oxalic acid
IUPAC Name:N-[2-(1,3-benzodioxol-5-yl)ethyl]adamantan-2-amine; oxalic acid
Traditional Name:2-adamantyl(homopiperonyl)amine; oxalic acid
Formula: C21H27NO6
MolecularWeight: 389.44218
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NCCC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O


Isomeric SMILES

C1C2CC3CC1CC(C2)C3NCCC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O


InChI

InChI=1S/C19H25NO2.C2H2O4/c1-2-17-18(22-11-21-17)10-12(1)3-4-20-19-15-6-13-5-14(8-15)9-16(19)7-13;3-1(4)2(5)6/h1-2,10,13-16,19-20H,3-9,11H2;(H,3,4)(H,5,6)


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