[4-[4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenoxy]piperidin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenoxy]piperidin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[4-[(4-benzylpiperidin-1-ium-1-yl)methyl]phenoxy]-1-piperidyl]-(3-pyridyl)methanone CAS Name: [4-[4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenoxy]-1-piperidinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[4-[(4-benzylpiperidin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[4-[(4-benzylpiperidin-1-ium-1-yl)methyl]phenoxy]piperidino]-(3-pyridyl)methanone Formula: C30H36N3O2+ MolecularWeight: 470.62574

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H35N3O2/c34-30(27-7-4-16-31-22-27)33-19-14-29(15-20-33)35-28-10-8-26(9-11-28)23-32-17-12-25(13-18-32)21-24-5-2-1-3-6-24/h1-11,16,22,25,29H,12-15,17-21,23H2/p+1