4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]-N-(2,6-dimethylphenyl)-N-methyl-4-pentyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]-N-(2,6-dimethylphenyl)-N-methyl-4-pentyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-N-(2,6-dimethylphenyl)-N-methyl-4-pentyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-N-(2,6-dimethylphenyl)-N-methyl-4-pentyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-N-(2,6-dimethylphenyl)-N-methyl-4-pentylpiperazin-4-ium-1-carboxamide Traditional Name: 4-amyl-4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-N-(2,6-dimethylphenyl)-N-methyl-piperazin-4-ium-1-carboxamide Formula: C29H42N3O4+ MolecularWeight: 496.66148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(CCN(CC1)C(=O)N(C)C2=C(C=CC=C2C)C)CC(C3COC4=CC=CC=C4O3)O

Isomeric SMILES

CCCCC[N+]1(CCN(CC1)C(=O)N(C)C2=C(C=CC=C2C)C)CC(C3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C29H42N3O4/c1-5-6-9-17-32(20-24(33)27-21-35-25-13-7-8-14-26(25)36-27)18-15-31(16-19-32)29(34)30(4)28-22(2)11-10-12-23(28)3/h7-8,10-14,24,27,33H,5-6,9,15-21H2,1-4H3/q+1