ethyl 1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-4-22-17-12-14(6-7-16(17)21-3)13-19-10-8-15(9-11-19)18(20)23-5-2/h6-7,12,15H,4-5,8-11,13H2,1-3H3/p+1