ethyl 4-[(3S)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(2-morpholinothiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[[2-(4-morpholinyl)-5-thiazolyl]methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(2-morpholinothiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H34N5O3S+ MolecularWeight: 424.58066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CN=C(S3)N4CCOCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CN=C(S3)N4CCOCC4

InChI

InChI=1S/C20H33N5O3S/c1-2-28-20(26)25-8-6-23(7-9-25)17-4-3-5-22(15-17)16-18-14-21-19(29-18)24-10-12-27-13-11-24/h14,17H,2-13,15-16H2,1H3/p+1/t17-/m0/s1