ethyl 4-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(3S)-3-[4-(2-methoxyphenyl)piperazino]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H33N5O3/c1-3-31-23(29)22-18(15-24-25-22)16-26-10-6-7-19(17-26)27-11-13-28(14-12-27)20-8-4-5-9-21(20)30-2/h4-5,8-9,15,19H,3,6-7,10-14,16-17H2,1-2H3,(H,24,25)/p+1/t19-/m0/s1