2-[4-butyl-1-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)hexanamide

Systemtic Name: 2-[4-butyl-1-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)hexanamide Openeye Name: 2-[4-butyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)hexanamide CAS Name: 2-[4-butyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)hexanamide IUPAC Name: 2-[4-butyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)hexanamide Traditional Name: 2-[4-butyl-1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)hexanamide Formula: C32H50N3O4+ MolecularWeight: 540.7571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=C(C=CC=C1C)C)[N+]2(CCN(CC2)CCCC)CC(COC3=CC=CC=C3OC)O

Isomeric SMILES

CCCCC(C(=O)NC1=C(C=CC=C1C)C)[N+]2(CCN(CC2)CCCC)CC(COC3=CC=CC=C3OC)O

InChI

InChI=1S/C32H49N3O4/c1-6-8-15-28(32(37)33-31-25(3)13-12-14-26(31)4)35(21-19-34(20-22-35)18-9-7-2)23-27(36)24-39-30-17-11-10-16-29(30)38-5/h10-14,16-17,27-28,36H,6-9,15,18-24H2,1-5H3/p+1