[3-[4-(butanoylamino)-2-ethanoyl-phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium chloride

Systemtic Name: [3-[4-(butanoylamino)-2-ethanoyl-phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium chloride Openeye Name: [3-[2-acetyl-4-(butanoylamino)phenoxy]-2-hydroxy-propyl]-isopropyl-ammonium chloride CAS Name: [3-[2-acetyl-4-(1-oxobutylamino)phenoxy]-2-hydroxypropyl]-propan-2-ylammonium chloride IUPAC Name: [3-[2-acetyl-4-(butanoylamino)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride Traditional Name: [3-(2-acetyl-4-butyramido-phenoxy)-2-hydroxy-propyl]-isopropyl-ammonium chloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCC(C[NH2+]C(C)C)O)C(=O)C.[Cl-]

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC(C[NH2+]C(C)C)O)C(=O)C.[Cl-]

InChI

InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H