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

Systemtic Name: 3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octyl-3-(phenylmethyl)piperazin-1-ium-2,5-dione; N-methylmethanamide Openeye Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-dione; N-methylformamide CAS Name: 3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octyl-3-(phenylmethyl)piperazin-1-ium-2,5-dione; N-methylformamide IUPAC Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octylpiperazin-1-ium-2,5-dione; N-methylformamide Traditional Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1,6-dimethyl-1-octyl-piperazin-1-ium-2,5-quinone; N-methylformamide Formula: C34H53N4O3+ MolecularWeight: 565.80962

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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.CNC=O

Isomeric SMILES

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

InChI

InChI=1S/C32H47N3O2.C2H5NO/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;1-3-2-4/h12-14,16-21,26,33H,5-11,15,22-25H2,1-4H3;2H,1H3,(H,3,4)/p+1