2-[2,3-bis(oxidanylidene)-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-1-yl]-N-heptyl-ethanamide

Systemtic Name: 2-[2,3-bis(oxidanylidene)-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-1-yl]-N-heptyl-ethanamide Openeye Name: 2-[2,3-dioxo-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-1-yl]-N-heptyl-acetamide CAS Name: 2-[2,3-dioxo-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-piperazin-1-iumyl]-N-heptylacetamide IUPAC Name: 2-[2,3-dioxo-1-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-1-yl]-N-heptylacetamide Traditional Name: 2-[2,3-diketo-1-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-1-yl]-N-heptyl-acetamide Formula: C29H40N3O6+ MolecularWeight: 526.6444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C[N+]1(CCNC(=O)C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCCCCNC(=O)C[N+]1(CCNC(=O)C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C29H39N3O6/c1-5-6-7-8-9-14-30-26(33)20-32(16-15-31-28(34)29(32)35)19-21-10-12-22(13-11-21)23-17-24(36-2)27(38-4)25(18-23)37-3/h10-13,17-18H,5-9,14-16,19-20H2,1-4H3,(H-,30,31,33,34)/p+1