1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-chloro-2-hydroxy-phenyl)methyl]-N-ethyl-N-(2-methylallyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(5-chloro-2-hydroxy-benzyl)-N-ethyl-N-(2-methylallyl)piperidin-1-ium-4-carboxamide Formula: C19H28ClN2O2+ MolecularWeight: 351.89082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C19H27ClN2O2/c1-4-22(12-14(2)3)19(24)15-7-9-21(10-8-15)13-16-11-17(20)5-6-18(16)23/h5-6,11,15,23H,2,4,7-10,12-13H2,1,3H3/p+1