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

Systemtic Name: ethyl 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[2-[(1S)-1-methylpropyl]phenoxy]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[2-[(1S)-1-methylpropyl]phenoxy]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO3+ MolecularWeight: 334.47298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C20H31NO3/c1-4-16(3)18-8-6-7-9-19(18)24-15-14-21-12-10-17(11-13-21)20(22)23-5-2/h6-9,16-17H,4-5,10-15H2,1-3H3/p+1/t16-/m0/s1