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

Systemtic Name: 3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octyl-3-(phenylmethyl)piperazin-1-ium-2,5-dione Openeye Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-dione CAS Name: 3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octyl-3-(phenylmethyl)piperazin-1-ium-2,5-dione IUPAC Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octylpiperazin-1-ium-2,5-dione Traditional Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-quinone Formula: C32H48N3O2+ MolecularWeight: 506.74242

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C32H47N3O2/c1-5-7-9-10-11-15-23-35(4)26(3)30(36)34-32(31(35)37,24-27-16-13-12-14-17-27)29-20-18-28(19-21-29)25-33-22-8-6-2/h12-14,16-21,26,33H,5-11,15,22-25H2,1-4H3/p+1