N-[1-[3-[2-[5-(3,4-dichlorophenyl)-2-oxidanylidene-1-pyridin-2-yl-piperidin-1-ium-1-yl]ethyl]azetidin-3-yl]piperidin-4-yl]ethanamide

Systemtic Name: N-[1-[3-[2-[5-(3,4-dichlorophenyl)-2-oxidanylidene-1-pyridin-2-yl-piperidin-1-ium-1-yl]ethyl]azetidin-3-yl]piperidin-4-yl]ethanamide Openeye Name: N-[1-[3-[2-[5-(3,4-dichlorophenyl)-2-oxo-1-(2-pyridyl)piperidin-1-ium-1-yl]ethyl]azetidin-3-yl]-4-piperidyl]acetamide CAS Name: N-[1-[3-[2-[5-(3,4-dichlorophenyl)-2-oxo-1-(2-pyridinyl)-1-piperidin-1-iumyl]ethyl]-3-azetidinyl]-4-piperidinyl]acetamide IUPAC Name: N-[1-[3-[2-[5-(3,4-dichlorophenyl)-2-oxo-1-pyridin-2-ylpiperidin-1-ium-1-yl]ethyl]azetidin-3-yl]piperidin-4-yl]acetamide Traditional Name: N-[1-[3-[2-[5-(3,4-dichlorophenyl)-2-keto-1-(2-pyridyl)piperidin-1-ium-1-yl]ethyl]azetidin-3-yl]-4-piperidyl]acetamide Formula: C28H36Cl2N5O2+ MolecularWeight: 545.52374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(CC1)C2(CNC2)CC[N+]3(CC(CCC3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=N5

Isomeric SMILES

CC(=O)NC1CCN(CC1)C2(CNC2)CC[N+]3(CC(CCC3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=N5

InChI

InChI=1S/C28H35Cl2N5O2/c1-20(36)33-23-9-13-34(14-10-23)28(18-31-19-28)11-15-35(26-4-2-3-12-32-26)17-22(6-8-27(35)37)21-5-7-24(29)25(30)16-21/h2-5,7,12,16,22-23,31H,6,8-11,13-15,17-19H2,1H3/p+1