ethanedioic acid; 4-(methylaminomethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-ol

Systemtic Name: ethanedioic acid; 4-(methylaminomethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-ol Openeye Name: 4-(methylaminomethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-ol; oxalic acid CAS Name: 4-(methylaminomethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidinol; oxalic acid IUPAC Name: 4-(methylaminomethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-ol; oxalic acid Traditional Name: 4-(methylaminomethyl)-1-(3,4,5-trimethoxybenzyl)piperidin-4-ol; oxalic acid Formula: C19H30N2O8 MolecularWeight: 414.4501

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1(CCN(CC1)CC2=CC(=C(C(=C2)OC)OC)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CNCC1(CCN(CC1)CC2=CC(=C(C(=C2)OC)OC)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O4.C2H2O4/c1-18-12-17(20)5-7-19(8-6-17)11-13-9-14(21-2)16(23-4)15(10-13)22-3;3-1(4)2(5)6/h9-10,18,20H,5-8,11-12H2,1-4H3;(H,3,4)(H,5,6)