ethyl 1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)CCC2=CC=C(C=C2)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)CCC2=CC=C(C=C2)O

InChI

InChI=1S/C18H27NO3/c1-3-22-18(21)16-10-12-19(13-11-16)14(2)4-5-15-6-8-17(20)9-7-15/h6-9,14,16,20H,3-5,10-13H2,1-2H3/p+1/t14-/m1/s1