[3-[3-(butoxycarbonylamino)phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium chloride

Systemtic Name: [3-[3-(butoxycarbonylamino)phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium chloride Openeye Name: [3-[3-(butoxycarbonylamino)phenoxy]-2-hydroxy-propyl]-isopropyl-ammonium chloride CAS Name: [3-[3-[[butoxy(oxo)methyl]amino]phenoxy]-2-hydroxypropyl]-propan-2-ylammonium chloride IUPAC Name: [3-[3-(butoxycarbonylamino)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride Traditional Name: [3-[3-(butoxycarbonylamino)phenoxy]-2-hydroxy-propyl]-isopropyl-ammonium chloride Formula: C17H29ClN2O4 MolecularWeight: 360.87616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4.ClH/c1-4-5-9-22-17(21)19-14-7-6-8-16(10-14)23-12-15(20)11-18-13(2)3;/h6-8,10,13,15,18,20H,4-5,9,11-12H2,1-3H3,(H,19,21);1H