ethanedioic acid; 1-(3-methylcyclohexyl)-4-[1-(phenylmethyl)piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-(3-methylcyclohexyl)-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-(3-methylcyclohexyl)piperazine; oxalic acid CAS Name: 1-(3-methylcyclohexyl)-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-(3-methylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(3-methylcyclohexyl)piperazine; oxalic acid Formula: C25H39N3O4 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H37N3.C2H2O4/c1-20-6-5-9-23(18-20)26-16-14-25(15-17-26)22-10-12-24(13-11-22)19-21-7-3-2-4-8-21;3-1(4)2(5)6/h2-4,7-8,20,22-23H,5-6,9-19H2,1H3;(H,3,4)(H,5,6)