ethyl (3R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(4-isopropylphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(4-propan-2-ylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(4-isopropylbenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H27NO2/c1-4-21-18(20)17-6-5-11-19(13-17)12-15-7-9-16(10-8-15)14(2)3/h7-10,14,17H,4-6,11-13H2,1-3H3/p+1/t17-/m1/s1