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

Systemtic Name: 3-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide Openeye Name: 3-[1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide CAS Name: 3-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methoxyethyl)propanamide IUPAC Name: 3-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide Traditional Name: 3-[1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propionamide Formula: C18H28ClN2O3+ MolecularWeight: 355.87952

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CCC1CC[NH+](CC1)CC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

COCCNC(=O)CCC1CC[NH+](CC1)CC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C18H27ClN2O3/c1-24-11-8-20-18(23)5-2-14-6-9-21(10-7-14)13-15-12-16(19)3-4-17(15)22/h3-4,12,14,22H,2,5-11,13H2,1H3,(H,20,23)/p+1