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

Systemtic Name: 3-[4-(butylaminomethyl)phenyl]-1,6,6-trimethyl-1-octyl-3-(phenylmethyl)piperazin-1-ium-2,5-dione Openeye Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,6,6-trimethyl-1-octyl-piperazin-1-ium-2,5-dione CAS Name: 3-[4-(butylaminomethyl)phenyl]-1,6,6-trimethyl-1-octyl-3-(phenylmethyl)piperazin-1-ium-2,5-dione IUPAC Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,6,6-trimethyl-1-octylpiperazin-1-ium-2,5-dione Traditional Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,6,6-trimethyl-1-octyl-piperazin-1-ium-2,5-quinone Formula: C33H50N3O2+ MolecularWeight: 520.769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H49N3O2/c1-6-8-10-11-12-16-24-36(5)31(38)33(35-30(37)32(36,3)4,25-27-17-14-13-15-18-27)29-21-19-28(20-22-29)26-34-23-9-7-2/h13-15,17-22,34H,6-12,16,23-26H2,1-5H3/p+1