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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]cycloheptanamine; ethanedioic acid Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]cycloheptanamine; oxalic acid CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]cycloheptanamine; oxalic acid IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]cycloheptanamine; oxalic acid Traditional Name: cycloheptyl(homopiperonyl)amine; oxalic acid Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)NCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO2.C2H2O4/c1-2-4-6-14(5-3-1)17-10-9-13-7-8-15-16(11-13)19-12-18-15;3-1(4)2(5)6/h7-8,11,14,17H,1-6,9-10,12H2;(H,3,4)(H,5,6)