[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone; ethanedioic acid

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone; ethanedioic acid Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-isobutyl-4-piperidyl)methanone; oxalic acid CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(2-methylpropyl)-4-piperidinyl]methanone; oxalic acid IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone; oxalic acid Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(1-isobutyl-4-piperidyl)methanone; oxalic acid Formula: C24H37N3O5 MolecularWeight: 447.56768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC(C)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC(C)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H35N3O.C2H2O4/c1-17(2)16-23-10-8-20(9-11-23)22(26)25-14-12-24(13-15-25)21-7-5-6-18(3)19(21)4;3-1(4)2(5)6/h5-7,17,20H,8-16H2,1-4H3;(H,3,4)(H,5,6)