N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)propanamide; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)propanamide; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethyl-1-piperidyl)propanamide; oxalic acid CAS Name: N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethyl-1-piperidinyl)propanamide; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidin-1-yl)propanamide; oxalic acid Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpiperidino)propionamide; oxalic acid Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCC(=O)NC2=CC3=C(C=C2)OCO3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CN(C1)CCC(=O)NC2=CC3=C(C=C2)OCO3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N2O3.C2H2O4/c1-12-7-13(2)10-19(9-12)6-5-17(20)18-14-3-4-15-16(8-14)22-11-21-15;3-1(4)2(5)6/h3-4,8,12-13H,5-7,9-11H2,1-2H3,(H,18,20);(H,3,4)(H,5,6)