(6-bromanyl-1,3-benzodioxol-5-yl)methyl-(3-propan-2-yloxypropyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl-(3-propan-2-yloxypropyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(3-isopropoxypropyl)-(4-pyridylmethyl)ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(3-propan-2-yloxypropyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(3-propan-2-yloxypropyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(3-isopropoxypropyl)-(4-pyridylmethyl)ammonium Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(C)OCCC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C20H25BrN2O3/c1-15(2)24-9-3-8-23(12-16-4-6-22-7-5-16)13-17-10-19-20(11-18(17)21)26-14-25-19/h4-7,10-11,15H,3,8-9,12-14H2,1-2H3/p+1