2-[1-butyl-2-methyl-3,6-bis(oxidanylidene)-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-1-yl]-N-hexyl-ethanamide

Systemtic Name: 2-[1-butyl-2-methyl-3,6-bis(oxidanylidene)-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-1-yl]-N-hexyl-ethanamide Openeye Name: 2-[1-butyl-2-methyl-3,6-dioxo-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-1-yl]-N-hexyl-acetamide CAS Name: 2-[1-butyl-2-methyl-3,6-dioxo-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-piperazin-1-iumyl]-N-hexylacetamide IUPAC Name: 2-[1-butyl-2-methyl-3,6-dioxo-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-1-yl]-N-hexylacetamide Traditional Name: 2-[1-butyl-2,5-diketo-6-methyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-1-yl]-N-hexyl-acetamide Formula: C33H48N3O6+ MolecularWeight: 582.75072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C[N+]1(C(C(=O)NC(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)C)CCCC

Isomeric SMILES

CCCCCCNC(=O)C[N+]1(C(C(=O)NC(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)C)CCCC

InChI

InChI=1S/C33H47N3O6/c1-7-9-11-12-17-34-30(37)22-36(18-10-8-2)23(3)32(38)35-27(33(36)39)19-24-13-15-25(16-14-24)26-20-28(40-4)31(42-6)29(21-26)41-5/h13-16,20-21,23,27H,7-12,17-19,22H2,1-6H3,(H-,34,35,37,38)/p+1