4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]-N-(2,6-dimethylphenyl)-4-ethyl-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-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-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-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-N-(2,6-dimethylphenyl)-4-ethylpiperazin-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-piperazin-4-ium-1-carboxamide Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4/c1-4-28(16-20(29)23-17-31-21-10-5-6-11-22(21)32-23)14-12-27(13-15-28)25(30)26-24-18(2)8-7-9-19(24)3/h5-11,20,23,29H,4,12-17H2,1-3H3/p+1