[4-[3-(diethylamino)-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone; ethanedioic acid

Systemtic Name: [4-[3-(diethylamino)-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone; ethanedioic acid Openeye Name: [4-[3-(diethylamino)-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[3-(diethylamino)-2-hydroxypropyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[3-(diethylamino)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-[3-(diethylamino)-2-hydroxy-propyl]piperazino]-phenyl-methanone; oxalic acid Formula: C20H31N3O6 MolecularWeight: 409.47664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2.C2H2O4/c1-3-19(4-2)14-17(22)15-20-10-12-21(13-11-20)18(23)16-8-6-5-7-9-16;3-1(4)2(5)6/h5-9,17,22H,3-4,10-15H2,1-2H3;(H,3,4)(H,5,6)