3-[4-(butylaminomethyl)phenyl]-1,4-dimethyl-1-octyl-3-(phenylmethyl)piperazin-1-ium-2,6-dione

Systemtic Name: 3-[4-(butylaminomethyl)phenyl]-1,4-dimethyl-1-octyl-3-(phenylmethyl)piperazin-1-ium-2,6-dione Openeye Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,4-dimethyl-1-octyl-piperazin-1-ium-2,6-dione CAS Name: 3-[4-(butylaminomethyl)phenyl]-1,4-dimethyl-1-octyl-3-(phenylmethyl)piperazin-1-ium-2,6-dione IUPAC Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,4-dimethyl-1-octylpiperazin-1-ium-2,6-dione Traditional Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,4-dimethyl-1-octyl-piperazin-1-ium-2,6-quinone Formula: C32H48N3O2+ MolecularWeight: 506.74242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C(=O)CN(C(C1=O)(CC2=CC=CC=C2)C3=CC=C(C=C3)CNCCCC)C)C

Isomeric SMILES

CCCCCCCC[N+]1(C(=O)CN(C(C1=O)(CC2=CC=CC=C2)C3=CC=C(C=C3)CNCCCC)C)C

InChI

InChI=1S/C32H48N3O2/c1-5-7-9-10-11-15-23-35(4)30(36)26-34(3)32(31(35)37,24-27-16-13-12-14-17-27)29-20-18-28(19-21-29)25-33-22-8-6-2/h12-14,16-21,33H,5-11,15,22-26H2,1-4H3/q+1