[3-bromanyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxy-phenyl]methyl-cyclopentyl-azanium

Systemtic Name: [3-bromanyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxy-phenyl]methyl-cyclopentyl-azanium Openeye Name: [3-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxy-phenyl]methyl-cyclopentyl-ammonium CAS Name: [3-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxyphenyl]methyl-cyclopentylammonium IUPAC Name: [3-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxyphenyl]methyl-cyclopentylazanium Traditional Name: [3-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxy-benzyl]-cyclopentyl-ammonium Formula: C22H27BrNO4+ MolecularWeight: 449.35808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCC2)Br)OCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26BrNO4/c1-25-21-12-16(13-24-17-4-2-3-5-17)10-18(23)22(21)28-14-15-6-7-19-20(11-15)27-9-8-26-19/h6-7,10-12,17,24H,2-5,8-9,13-14H2,1H3/p+1