ethyl 1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-ethylbenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C17H25NO2/c1-3-14-5-7-15(8-6-14)13-18-11-9-16(10-12-18)17(19)20-4-2/h5-8,16H,3-4,9-13H2,1-2H3/p+1