(3-methyl-1-benzofuran-2-yl)methyl-(pyridin-4-ylmethyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: (3-methyl-1-benzofuran-2-yl)methyl-(pyridin-4-ylmethyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: (3-methylbenzofuran-2-yl)methyl-(4-pyridylmethyl)-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: (3-methyl-2-benzofuranyl)methyl-(pyridin-4-ylmethyl)-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: (3-methyl-1-benzofuran-2-yl)methyl-(pyridin-4-ylmethyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: (3-methylbenzofuran-2-yl)methyl-(4-pyridylmethyl)-(3,4,5-trimethoxybenzyl)ammonium Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C[NH+](CC3=CC=NC=C3)CC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C[NH+](CC3=CC=NC=C3)CC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C26H28N2O4/c1-18-21-7-5-6-8-22(21)32-25(18)17-28(15-19-9-11-27-12-10-19)16-20-13-23(29-2)26(31-4)24(14-20)30-3/h5-14H,15-17H2,1-4H3/p+1