ethyl 4-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H27N4O3+ MolecularWeight: 323.41058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=NOC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=NOC=C3

InChI

InChI=1S/C16H26N4O3/c1-2-22-16(21)20-9-7-19(8-10-20)15-4-3-6-18(13-15)12-14-5-11-23-17-14/h5,11,15H,2-4,6-10,12-13H2,1H3/p+1/t15-/m0/s1