1-benzofuran-2-ylmethyl(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: 1-benzofuran-2-ylmethyl(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: benzofuran-2-ylmethyl(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: 2-benzofuranylmethyl-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: 1-benzofuran-2-ylmethyl(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: benzofuran-2-ylmethyl(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C17H26N2O+2 MolecularWeight: 274.40114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC[NH2+]CC2=CC3=CC=CC=C3O2

Isomeric SMILES

C1CC[NH+](CC1)CCC[NH2+]CC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H24N2O/c1-4-10-19(11-5-1)12-6-9-18-14-16-13-15-7-2-3-8-17(15)20-16/h2-3,7-8,13,18H,1,4-6,9-12,14H2/p+2