[5-(1,3-benzodioxol-5-yl)-2-oxidanyl-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-2-oxidanyl-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-2-hydroxy-phenyl]methyl-(3-morpholinopropyl)ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-2-hydroxyphenyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-2-hydroxyphenyl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-2-hydroxy-benzyl]-(3-morpholinopropyl)ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[NH2+]CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1COCCN1CCC[NH2+]CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H26N2O4/c24-19-4-2-16(17-3-5-20-21(13-17)27-15-26-20)12-18(19)14-22-6-1-7-23-8-10-25-11-9-23/h2-5,12-13,22,24H,1,6-11,14-15H2/p+1