ethyl (3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-ethylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-ethylbenzyl)piperidin-1-ium-3-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+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)OCC

InChI

InChI=1S/C17H25NO2/c1-3-14-7-9-15(10-8-14)12-18-11-5-6-16(13-18)17(19)20-4-2/h7-10,16H,3-6,11-13H2,1-2H3/p+1/t16-/m0/s1