4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]-N-(2,6-dimethylphenyl)-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)-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)-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)-4-pentyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-N-(2,6-dimethylphenyl)-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)piperazin-4-ium-1-carboxamide Formula: C28H40N3O4+ MolecularWeight: 482.6349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(CCN(CC1)C(=O)NC2=C(C=CC=C2C)C)CC(C3COC4=CC=CC=C4O3)O

Isomeric SMILES

CCCCC[N+]1(CCN(CC1)C(=O)NC2=C(C=CC=C2C)C)CC(C3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C28H39N3O4/c1-4-5-8-16-31(19-23(32)26-20-34-24-12-6-7-13-25(24)35-26)17-14-30(15-18-31)28(33)29-27-21(2)10-9-11-22(27)3/h6-7,9-13,23,26,32H,4-5,8,14-20H2,1-3H3/p+1