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

Systemtic Name: 3-[4-(butylaminomethyl)phenyl]-1-hexyl-1,6-dimethyl-3-(phenylmethyl)piperazin-1-ium-2,5-dione; N-methylmethanamide Openeye Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1-hexyl-1,6-dimethyl-piperazin-1-ium-2,5-dione; N-methylformamide CAS Name: 3-[4-(butylaminomethyl)phenyl]-1-hexyl-1,6-dimethyl-3-(phenylmethyl)piperazin-1-ium-2,5-dione; N-methylformamide IUPAC Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1-hexyl-1,6-dimethylpiperazin-1-ium-2,5-dione; N-methylformamide Traditional Name: 3-benzyl-3-[4-(butylaminomethyl)phenyl]-1-hexyl-1,6-dimethyl-piperazin-1-ium-2,5-quinone; N-methylformamide Formula: C32H49N4O3+ MolecularWeight: 537.75646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[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/C30H43N3O2.C2H5NO/c1-5-7-9-13-21-33(4)24(3)28(34)32-30(29(33)35,22-25-14-11-10-12-15-25)27-18-16-26(17-19-27)23-31-20-8-6-2;1-3-2-4/h10-12,14-19,24,31H,5-9,13,20-23H2,1-4H3;2H,1H3,(H,3,4)/p+1