ethanedioic acid; [1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: ethanedioic acid; [1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]-(3-methyl-1-piperidyl)methanone; oxalic acid CAS Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidinyl]-(3-methyl-1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone; oxalic acid Traditional Name: [1-[(E)-2-methyl-3-phenyl-allyl]-4-piperidyl]-(3-methylpiperidino)methanone; oxalic acid Formula: C24H34N2O5 MolecularWeight: 430.53716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CCN(CC2)CC(=CC3=CC=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)C(=O)C2CCN(CC2)C/C(=C/C3=CC=CC=C3)/C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H32N2O.C2H2O4/c1-18-7-6-12-24(17-18)22(25)21-10-13-23(14-11-21)16-19(2)15-20-8-4-3-5-9-20;3-1(4)2(5)6/h3-5,8-9,15,18,21H,6-7,10-14,16-17H2,1-2H3;(H,3,4)(H,5,6)/b19-15+;