ethanedioic acid; [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone Openeye Name: oxalic acid; 1-piperidyl-[1-(p-tolylmethyl)-3-piperidyl]methanone CAS Name: [1-[(4-methylphenyl)methyl]-3-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-(4-methylbenzyl)-3-piperidyl]-piperidino-methanone; oxalic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O.C2H2O4/c1-16-7-9-17(10-8-16)14-20-11-5-6-18(15-20)19(22)21-12-3-2-4-13-21;3-1(4)2(5)6/h7-10,18H,2-6,11-15H2,1H3;(H,3,4)(H,5,6)