[4-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [4-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [4-[[1-(2-benzofuranylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H30N2O3/c29-26(28-14-4-1-5-15-28)20-8-10-22(11-9-20)30-23-12-16-27(17-13-23)19-24-18-21-6-2-3-7-25(21)31-24/h2-3,6-11,18,23H,1,4-5,12-17,19H2/p+1