ethanedioic acid; 4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline

Systemtic Name: ethanedioic acid; 4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline Openeye Name: oxalic acid; 4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline CAS Name: oxalic acid; 4-[2-[4-(3-phenylpropyl)-1-piperazinyl]ethyl]aniline IUPAC Name: oxalic acid; 4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline Traditional Name: oxalic acid; [4-[2-[4-(3-phenylpropyl)piperazino]ethyl]phenyl]amine Formula: C23H31N3O4 MolecularWeight: 413.50994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC=C(C=C3)N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC=C(C=C3)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29N3.C2H2O4/c22-21-10-8-20(9-11-21)12-14-24-17-15-23(16-18-24)13-4-7-19-5-2-1-3-6-19;3-1(4)2(5)6/h1-3,5-6,8-11H,4,7,12-18,22H2;(H,3,4)(H,5,6)