3-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C21H26ClN3O2/c22-19-4-5-20(26)18(12-19)15-25-10-7-16(8-11-25)3-6-21(27)24-14-17-2-1-9-23-13-17/h1-2,4-5,9,12-13,16,26H,3,6-8,10-11,14-15H2,(H,24,27)/p+1