[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)azanium chloride

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)azanium chloride Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-(1,3-benzodioxol-5-ylmethyl)ammonium chloride CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(1,3-benzodioxol-5-ylmethyl)ammonium chloride IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(1,3-benzodioxol-5-ylmethyl)azanium chloride Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-piperonyl-ammonium chloride Formula: C18H21ClN2O5 MolecularWeight: 380.82274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC(=O)N.[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC(=O)N.[Cl-]

InChI

InChI=1S/C18H20N2O5.ClH/c1-22-16-6-12(2-4-14(16)23-10-18(19)21)8-20-9-13-3-5-15-17(7-13)25-11-24-15;/h2-7,20H,8-11H2,1H3,(H2,19,21);1H