ethyl 4-(2-methoxyethyl)-1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-methoxyethyl)-1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-methoxyethyl)-1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(2-methoxyethyl)-1-[(2R)-4-(1-pyrazolyl)butan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyethyl)-1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-methoxyethyl)-1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H32N3O3+ MolecularWeight: 338.46498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(C)CCN2C=CC=N2)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CCN2C=CC=N2)CCOC

InChI

InChI=1S/C18H31N3O3/c1-4-24-17(22)18(9-15-23-3)7-13-20(14-8-18)16(2)6-12-21-11-5-10-19-21/h5,10-11,16H,4,6-9,12-15H2,1-3H3/p+1/t16-/m1/s1