ethyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)-1-piperazin-4-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C18H31N4O3+ MolecularWeight: 351.46374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CC[NH+](C(C2)CCO)CC=C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CC[NH+]([C@H](C2)CCO)CC=C(C)C

InChI

InChI=1S/C18H30N4O3/c1-4-25-18(24)17-15(11-19-20-17)12-21-8-9-22(7-5-14(2)3)16(13-21)6-10-23/h5,11,16,23H,4,6-10,12-13H2,1-3H3,(H,19,20)/p+1/t16-/m0/s1