ethyl 1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCC[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCC[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C21H33NO3/c1-4-17(3)19-9-6-7-10-20(19)25-16-8-13-22-14-11-18(12-15-22)21(23)24-5-2/h6-7,9-10,17-18H,4-5,8,11-16H2,1-3H3/p+1/t17-/m0/s1