3-chloranyl-N-[4-[4-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-ium-1-yl)piperidin-1-yl]phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-[4-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-ium-1-yl)piperidin-1-yl]phenyl]benzamide Openeye Name: 3-chloro-N-[4-[4-[4-hydroxy-4-(2-pyridyl)piperidin-1-ium-1-yl]-1-piperidyl]phenyl]benzamide CAS Name: 3-chloro-N-[4-[4-[4-hydroxy-4-(2-pyridinyl)-1-piperidin-1-iumyl]-1-piperidinyl]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[4-(4-hydroxy-4-pyridin-2-ylpiperidin-1-ium-1-yl)piperidin-1-yl]phenyl]benzamide Traditional Name: 3-chloro-N-[4-[4-[4-hydroxy-4-(2-pyridyl)piperidin-1-ium-1-yl]piperidino]phenyl]benzamide Formula: C28H32ClN4O2+ MolecularWeight: 492.03228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCC(CC2)(C3=CC=CC=N3)O)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1[NH+]2CCC(CC2)(C3=CC=CC=N3)O)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H31ClN4O2/c29-22-5-3-4-21(20-22)27(34)31-23-7-9-24(10-8-23)32-16-11-25(12-17-32)33-18-13-28(35,14-19-33)26-6-1-2-15-30-26/h1-10,15,20,25,35H,11-14,16-19H2,(H,31,34)/p+1