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cyclopropyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium

cyclopropyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name:cyclopropyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium
Openeye Name:cyclopropyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-[(4-isopropylphenyl)methyl]ammonium
CAS Name:cyclopropyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-[(4-propan-2-ylphenyl)methyl]ammonium
IUPAC Name:cyclopropyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium
Traditional Name:cyclopropyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-(4-isopropylbenzyl)ammonium
Formula: C21H26NO3+
MolecularWeight: 340.43604
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC2=CC3=C(C=C2O)OCO3)C4CC4


Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC2=CC3=C(C=C2O)OCO3)C4CC4


InChI

InChI=1S/C21H25NO3/c1-14(2)16-5-3-15(4-6-16)11-22(18-7-8-18)12-17-9-20-21(10-19(17)23)25-13-24-20/h3-6,9-10,14,18,23H,7-8,11-13H2,1-2H3/p+1


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