1-[[3,4-bis(oxidanyl)phenyl]methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-N-ethyl-N-(2-methylallyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidin-1-ium-4-carboxamide Traditional Name: N-ethyl-N-(2-methylallyl)-1-protocatechuyl-piperidin-1-ium-4-carboxamide Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-4-21(12-14(2)3)19(24)16-7-9-20(10-8-16)13-15-5-6-17(22)18(23)11-15/h5-6,11,16,22-23H,2,4,7-10,12-13H2,1,3H3/p+1