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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[1-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-4-methyl-piperazin-1-ium-1-yl]hexanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-piperazin-1-ium-1-yl]hexanamide CAS Name: N-(2,6-dimethylphenyl)-2-[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-1-piperazin-1-iumyl]hexanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methylpiperazin-1-ium-1-yl]hexanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[1-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-piperazin-1-ium-1-yl]hexanamide Formula: C29H44N3O4+ MolecularWeight: 498.67736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43N3O4/c1-6-7-13-25(29(34)30-28-22(2)11-10-12-23(28)3)32(18-16-31(4)17-19-32)20-24(33)21-36-27-15-9-8-14-26(27)35-5/h8-12,14-15,24-25,33H,6-7,13,16-21H2,1-5H3/p+1