4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]-N-(2,6-dimethylphenyl)-4-ethyl-N-methyl-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-ethyl-N-methyl-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-ethyl-N-methyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-N-(2,6-dimethylphenyl)-4-ethyl-N-methyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-N-(2,6-dimethylphenyl)-4-ethyl-N-methylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-N-(2,6-dimethylphenyl)-4-ethyl-N-methyl-piperazin-4-ium-1-carboxamide Formula: C26H36N3O4+ MolecularWeight: 454.58174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N3O4/c1-5-29(17-21(30)24-18-32-22-11-6-7-12-23(22)33-24)15-13-28(14-16-29)26(31)27(4)25-19(2)9-8-10-20(25)3/h6-12,21,24,30H,5,13-18H2,1-4H3/q+1