ethanedioic acid; 1-[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-4-yl]azepane

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H37N3.C2H2O4/c1-2-7-15-25(14-6-1)23-12-18-26(19-13-23)22-10-16-24(17-11-22)20-21-8-4-3-5-9-21;3-1(4)2(5)6/h3-5,8-9,22-23H,1-2,6-7,10-20H2;(H,3,4)(H,5,6)