1-(diethylamino)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(diethylamino)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol; ethanedioic acid Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(diethylamino)propan-2-ol; oxalic acid CAS Name: 1-(diethylamino)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol; oxalic acid IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(diethylamino)propan-2-ol; oxalic acid Traditional Name: 1-(4-benzylpiperazino)-3-(diethylamino)propan-2-ol; oxalic acid Formula: C20H33N3O5 MolecularWeight: 395.49312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CN1CCN(CC1)CC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CC(CN1CCN(CC1)CC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H31N3O.C2H2O4/c1-3-19(4-2)15-18(22)16-21-12-10-20(11-13-21)14-17-8-6-5-7-9-17;3-1(4)2(5)6/h5-9,18,22H,3-4,10-16H2,1-2H3;(H,3,4)(H,5,6)