1,4-dimethyl-1-oxidanidyl-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one; N-heptylmethanamide

Systemtic Name: 1,4-dimethyl-1-oxidanidyl-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one; N-heptylmethanamide Openeye Name: 1,4-dimethyl-1-oxido-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one; N-heptylformamide CAS Name: 1,4-dimethyl-1-oxido-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-2-piperazin-1-iumone; N-heptylformamide IUPAC Name: 1,4-dimethyl-1-oxido-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one; N-heptylformamide Traditional Name: 1,4-dimethyl-1-oxido-5-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2-one; N-heptylformamide Formula: C30H45N3O6 MolecularWeight: 543.6948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC=O.CN1CC(=O)[N+](CC1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-]

Isomeric SMILES

CCCCCCCNC=O.CN1CC(=O)[N+](CC1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-]

InChI

InChI=1S/C22H28N2O5.C8H17NO/c1-23-13-21(25)24(2,26)14-18(23)10-15-6-8-16(9-7-15)17-11-19(27-3)22(29-5)20(12-17)28-4;1-2-3-4-5-6-7-9-8-10/h6-9,11-12,18H,10,13-14H2,1-5H3;8H,2-7H2,1H3,(H,9,10)