(3,5-dimethyl-1-benzofuran-2-yl)methyl-(3-methoxypropyl)-(pyridin-2-ylmethyl)azanium

Systemtic Name: (3,5-dimethyl-1-benzofuran-2-yl)methyl-(3-methoxypropyl)-(pyridin-2-ylmethyl)azanium Openeye Name: (3,5-dimethylbenzofuran-2-yl)methyl-(3-methoxypropyl)-(2-pyridylmethyl)ammonium CAS Name: (3,5-dimethyl-2-benzofuranyl)methyl-(3-methoxypropyl)-(2-pyridinylmethyl)ammonium IUPAC Name: (3,5-dimethyl-1-benzofuran-2-yl)methyl-(3-methoxypropyl)-(pyridin-2-ylmethyl)azanium Traditional Name: (3,5-dimethylbenzofuran-2-yl)methyl-(3-methoxypropyl)-(2-pyridylmethyl)ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C[NH+](CCCOC)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C[NH+](CCCOC)CC3=CC=CC=N3

InChI

InChI=1S/C21H26N2O2/c1-16-8-9-20-19(13-16)17(2)21(25-20)15-23(11-6-12-24-3)14-18-7-4-5-10-22-18/h4-5,7-10,13H,6,11-12,14-15H2,1-3H3/p+1