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

Systemtic Name: 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-ethyl-N-(2-methylallyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-4-hydroxy-benzyl)-N-ethyl-N-(2-methylallyl)piperidin-1-ium-4-carboxamide Formula: C21H33N2O3+ MolecularWeight: 361.49832

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3/c1-5-23(14-16(3)4)21(25)18-9-11-22(12-10-18)15-17-7-8-19(24)20(13-17)26-6-2/h7-8,13,18,24H,3,5-6,9-12,14-15H2,1-2,4H3/p+1