ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(quinolin-6-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(quinolin-6-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(6-quinolylmethyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[[(2R)-2-oxanyl]methyl]-1-(6-quinolinylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(quinolin-6-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(6-quinolylmethyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2)N=CC=C3)CC4CCCCO4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2)N=CC=C3)C[C@H]4CCCCO4

InChI

InChI=1S/C24H32N2O3/c1-2-28-23(27)24(17-21-7-3-4-15-29-21)10-13-26(14-11-24)18-19-8-9-22-20(16-19)6-5-12-25-22/h5-6,8-9,12,16,21H,2-4,7,10-11,13-15,17-18H2,1H3/p+1/t21-/m1/s1