2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(2-hydroxy-5-isopropyl-4-methyl-benzyl)-methyl-ammonium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+](C)CC2=CC3=C(C=C2)OCCO3)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+](C)CC2=CC3=C(C=C2)OCCO3)O

InChI

InChI=1S/C21H27NO3/c1-14(2)18-11-17(19(23)9-15(18)3)13-22(4)12-16-5-6-20-21(10-16)25-8-7-24-20/h5-6,9-11,14,23H,7-8,12-13H2,1-4H3/p+1