2-[1-benzofuran-2-ylcarbonyl-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1-benzofuran-2-ylcarbonyl-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzofuran-2-carbonyl-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-benzofuranyl(oxo)methyl]-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1-benzofuran-2-carbonyl-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzofuran-2-carbonyl-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl]amino]ethyl-dimethyl-ammonium Formula: C27H37N3O3+2 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1CCC[NH+](C1)CC2=CC=CC=C2OC)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+](C)CCN(C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2OC)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H35N3O3/c1-28(2)15-16-30(27(31)26-17-22-10-4-7-13-25(22)33-26)19-21-9-8-14-29(18-21)20-23-11-5-6-12-24(23)32-3/h4-7,10-13,17,21H,8-9,14-16,18-20H2,1-3H3/p+2/t21-/m0/s1