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dimethyl-[3-[(2-methyl-1-benzofuran-3-yl)methyl-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium

dimethyl-[3-[(2-methyl-1-benzofuran-3-yl)methyl-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium

Systemtic Name:dimethyl-[3-[(2-methyl-1-benzofuran-3-yl)methyl-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium
Openeye Name:dimethyl-[3-[(2-methylbenzofuran-3-yl)methyl-(2-pyridylmethyl)ammonio]propyl]ammonium
CAS Name:dimethyl-[3-[(2-methyl-3-benzofuranyl)methyl-(2-pyridinylmethyl)ammonio]propyl]ammonium
IUPAC Name:dimethyl-[3-[(2-methyl-1-benzofuran-3-yl)methyl-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium
Traditional Name:dimethyl-[3-[(2-methylbenzofuran-3-yl)methyl-(2-pyridylmethyl)ammonio]propyl]ammonium
Formula: C21H29N3O+2
MolecularWeight: 339.47446
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2O1)C[NH+](CCC[NH+](C)C)CC3=CC=CC=N3


Isomeric SMILES

CC1=C(C2=CC=CC=C2O1)C[NH+](CCC[NH+](C)C)CC3=CC=CC=N3


InChI

InChI=1S/C21H27N3O/c1-17-20(19-10-4-5-11-21(19)25-17)16-24(14-8-13-23(2)3)15-18-9-6-7-12-22-18/h4-7,9-12H,8,13-16H2,1-3H3/p+2


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