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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC=O.CN1CC[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-]

Isomeric SMILES

CCCCCCCNC=O.CN1CC[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-]

InChI

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