[5-chloranyl-2-(pyridin-3-ylmethoxy)phenyl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [5-chloranyl-2-(pyridin-3-ylmethoxy)phenyl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[5-chloro-2-(3-pyridylmethoxy)phenyl]methyl]ammonium CAS Name: [5-chloro-2-(3-pyridinylmethoxy)phenyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[5-chloro-2-(3-pyridylmethoxy)benzyl]ammonium Formula: C25H30ClN3O+2 MolecularWeight: 423.9782

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=C(C=CC(=C2)Cl)OCC3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=C(C=CC(=C2)Cl)OCC3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28ClN3O/c26-23-8-9-25(30-19-21-7-4-12-27-16-21)22(15-23)17-28-24-10-13-29(14-11-24)18-20-5-2-1-3-6-20/h1-9,12,15-16,24,28H,10-11,13-14,17-19H2/p+2