ethanedioic acid; (4-methylpiperazin-1-yl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone

Systemtic Name: ethanedioic acid; (4-methylpiperazin-1-yl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[1-(3-phenylpropyl)-4-piperidyl]methanone; oxalic acid CAS Name: (4-methyl-1-piperazinyl)-[1-(3-phenylpropyl)-4-piperidinyl]methanone; oxalic acid IUPAC Name: (4-methylpiperazin-1-yl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone; oxalic acid Traditional Name: (4-methylpiperazino)-[1-(3-phenylpropyl)-4-piperidyl]methanone; oxalic acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H31N3O.C2H2O4/c1-21-14-16-23(17-15-21)20(24)19-9-12-22(13-10-19)11-5-8-18-6-3-2-4-7-18;3-1(4)2(5)6/h2-4,6-7,19H,5,8-17H2,1H3;(H,3,4)(H,5,6)