methyl 2-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: methyl 2-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]acetic acid methyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-3-22-16-10-14(4-5-15(16)19)12-18-8-6-13(7-9-18)11-17(20)21-2/h4-5,10,13,19H,3,6-9,11-12H2,1-2H3/p+1