ethanedioic acid; 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenyl-piperazine

Systemtic Name: ethanedioic acid; 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenyl-piperazine Openeye Name: 1-[1-(1-naphthylmethyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[1-(1-naphthalenylmethyl)-4-piperidinyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-[1-(1-naphthylmethyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N3.C2H2O4/c1-2-10-24(11-3-1)28-17-19-29(20-18-28)25-13-15-27(16-14-25)21-23-9-6-8-22-7-4-5-12-26(22)23;3-1(4)2(5)6/h1-12,25H,13-21H2;(H,3,4)(H,5,6)