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

Systemtic Name: 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-isobutyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(2-methylpropyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-4-hydroxy-benzyl)-N-isobutyl-piperidin-1-ium-4-carboxamide Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCC(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCC(C)C)O

InChI

InChI=1S/C19H30N2O3/c1-4-24-18-11-15(5-6-17(18)22)13-21-9-7-16(8-10-21)19(23)20-12-14(2)3/h5-6,11,14,16,22H,4,7-10,12-13H2,1-3H3,(H,20,23)/p+1