[2-[2-(3-hexoxyphenoxy)ethanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [2-[2-(3-hexoxyphenoxy)ethanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [2-[[2-(3-hexoxyphenoxy)acetyl]amino]-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [2-[[2-(3-hexoxyphenoxy)-1-oxoethyl]amino]-4-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [2-[[2-(3-hexoxyphenoxy)acetyl]amino]-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[[2-(3-hexoxyphenoxy)acetyl]amino]-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C21H35N2O5+ MolecularWeight: 395.513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)OCC(=O)NC(CC(=O)O)C[N+](C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)OCC(=O)NC(CC(=O)O)C[N+](C)(C)C

InChI

InChI=1S/C21H34N2O5/c1-5-6-7-8-12-27-18-10-9-11-19(14-18)28-16-20(24)22-17(13-21(25)26)15-23(2,3)4/h9-11,14,17H,5-8,12-13,15-16H2,1-4H3,(H-,22,24,25,26)/p+1