1-benzofuran-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium Openeye Name: benzofuran-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]ammonium CAS Name: 2-benzofuranylmethyl-ethyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: 1-benzofuran-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azanium Traditional Name: benzofuran-2-ylmethyl-ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]ammonium Formula: C23H38N3O+3 MolecularWeight: 372.56732

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H35N3O/c1-3-25(18-22-16-20-6-4-5-7-23(20)27-22)17-19-8-14-26(15-9-19)21-10-12-24(2)13-11-21/h4-7,16,19,21H,3,8-15,17-18H2,1-2H3/p+3