ethyl (3S)-3-(2-methoxyethyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-methoxyethyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-methoxyethyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-methoxyethyl)-1-[[2-(4-methoxyphenyl)-5-pyrimidinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-methoxyethyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-methoxyethyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H32N3O4+ MolecularWeight: 414.51788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN=C(N=C2)C3=CC=C(C=C3)OC)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN=C(N=C2)C3=CC=C(C=C3)OC)CCOC

InChI

InChI=1S/C23H31N3O4/c1-4-30-22(27)23(11-13-28-2)10-5-12-26(17-23)16-18-14-24-21(25-15-18)19-6-8-20(29-3)9-7-19/h6-9,14-15H,4-5,10-13,16-17H2,1-3H3/p+1/t23-/m0/s1