ethanedioic acid; N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(phenylmethyl)piperidin-4-amine

Systemtic Name: ethanedioic acid; N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(phenylmethyl)piperidin-4-amine Openeye Name: 1-benzyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-amine; oxalic acid CAS Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-benzyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-amine; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amine; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CNC3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CNC3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-24-19-11-17(12-20-21(19)26-15-25-20)13-22-18-7-9-23(10-8-18)14-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-6,11-12,18,22H,7-10,13-15H2,1H3;(H,3,4)(H,5,6)