1-butyl-3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-6-methyl-1-octyl-piperazin-1-ium-2,5-dione

Systemtic Name: 1-butyl-3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-6-methyl-1-octyl-piperazin-1-ium-2,5-dione Openeye Name: 1-butyl-3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-6-methyl-1-octyl-piperazin-1-ium-2,5-dione CAS Name: 1-butyl-3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-6-methyl-1-octylpiperazin-1-ium-2,5-dione IUPAC Name: 1-butyl-3-[[3-[4-(butylaminomethyl)phenyl]phenyl]methyl]-6-methyl-1-octylpiperazin-1-ium-2,5-dione Traditional Name: 1-butyl-3-[3-[4-(butylaminomethyl)phenyl]benzyl]-6-methyl-1-octyl-piperazin-1-ium-2,5-quinone Formula: C35H54N3O2+ MolecularWeight: 548.82216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H53N3O2/c1-5-8-11-12-13-14-24-38(23-10-7-3)28(4)34(39)37-33(35(38)40)26-30-16-15-17-32(25-30)31-20-18-29(19-21-31)27-36-22-9-6-2/h15-21,25,28,33,36H,5-14,22-24,26-27H2,1-4H3/p+1