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

Systemtic Name: 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-isopentyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(3-methylbutyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-4-hydroxy-benzyl)-N-isoamyl-piperidin-1-ium-4-carboxamide Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3/c1-4-25-19-13-16(5-6-18(19)23)14-22-11-8-17(9-12-22)20(24)21-10-7-15(2)3/h5-6,13,15,17,23H,4,7-12,14H2,1-3H3,(H,21,24)/p+1