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

Systemtic Name: 2-phenyl-1-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone Openeye Name: 2-phenyl-1-[4-[3-[[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]-1-piperidyl]ethanone CAS Name: 2-phenyl-1-[4-[3-[[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]phenoxy]-1-piperidinyl]ethanone IUPAC Name: 2-phenyl-1-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidin-1-yl]ethanone Traditional Name: 2-phenyl-1-[4-[3-[[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenoxy]piperidino]ethanone Formula: C30H37N4O2+ MolecularWeight: 485.64038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)CN3CC[NH+](CC3)CC4=CN=CC=C4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)CN3CC[NH+](CC3)CC4=CN=CC=C4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H36N4O2/c35-30(21-25-6-2-1-3-7-25)34-14-11-28(12-15-34)36-29-10-4-8-26(20-29)23-32-16-18-33(19-17-32)24-27-9-5-13-31-22-27/h1-10,13,20,22,28H,11-12,14-19,21,23-24H2/p+1