1-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]pyrrolidine; ethanedioic acid

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]pyrrolidine; ethanedioic acid Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]pyrrolidine; oxalic acid CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]pyrrolidine; oxalic acid IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]pyrrolidine; oxalic acid Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]pyrrolidine; oxalic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCN1CCCC1)C2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCC(CCN1CCCC1)C2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29NO2.C2H2O4/c1-15(2)5-6-16(9-12-20-10-3-4-11-20)17-7-8-18-19(13-17)22-14-21-18;3-1(4)2(5)6/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3;(H,3,4)(H,5,6)