furan-2-yl-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidin-1-yl]methanone Openeye Name: 2-furyl-[4-[3-[[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]-1-piperidyl]methanone CAS Name: 2-furanyl-[4-[3-[[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]phenoxy]-1-piperidinyl]methanone IUPAC Name: furan-2-yl-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidin-1-yl]methanone Traditional Name: 2-furyl-[4-[3-[[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidino]methanone Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)CN3CC[NH+](CC3)CC4=CN=CC=C4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)CN3CC[NH+](CC3)CC4=CN=CC=C4)C(=O)C5=CC=CO5

InChI

InChI=1S/C27H32N4O3/c32-27(26-7-3-17-33-26)31-11-8-24(9-12-31)34-25-6-1-4-22(18-25)20-29-13-15-30(16-14-29)21-23-5-2-10-28-19-23/h1-7,10,17-19,24H,8-9,11-16,20-21H2/p+1